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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02176098

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
N414-(6-CYCLOHEXYLMETHOXY-9H-PURIN-
2-YLAMINO)--BENZAMIDE		A,B,C,D1OIY0.71
LI94-(4-FLUOROPHENYL)-1-METHYL-5-(2-
{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-
4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-
3H-PYRAZOL-3-ONE		A1YWR0.71
FR91-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-
1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1O5R0.7
2874-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-
5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide		A2RG60.72
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium		A2RD60.77
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B,C,D2HYY0.74
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B1IEP0.74
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B1OPJ0.74
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A1T460.74
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A3GVU0.74
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A2OIQ0.74
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A3FW10.74
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A2PL00.74
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A1XBB0.74
IDN(E)-N-METHYL-N-(1-METHYL-1H-INDOL-
3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-
[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE		A,B1MFP0.73
FR81-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1QXL0.71
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide		A,B3DK30.73
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide		A,B3DK70.73
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide		A,B3DK60.73
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA		A1GII0.75
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA		A1GIH0.75
RAJN-{3-[3-(DIMETHYLAMINO)PROPYL]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE		X2OO80.73
RAJN-{3-[3-(DIMETHYLAMINO)PROPYL]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE		A3BE20.73
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.72
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE		A1G5S0.76
AM96-(2,6-dimethylphenyl)-2-{[4-(4-
methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-
a]benzimidazol-5(6H)-one		A3BYO0.73
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.74
P5C2-{[(1R,2S)-2-aminocyclohexyl]amino}-
4-[(3-methylphenyl)amino]pyrimidine-
5-carboxamide		A3FQE0.73
BGU2,6-diamino-1,7-dihydro-8H-imidazo[4,5-
g]quinazolin-8-one		A2Z7K0.74
ZZY1-[(2-NITROPHENYL)SULFONYL]-1H-
PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE		A2WD10.72
S606-amino-2-methyl-1,7-dihydro-8H-
imidazo[4,5-g]quinazolin-8-one		A3C2Y0.75
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.72
DOT3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-
5'-TRIPHOSPHATE		A,B,C,D,E,F1LVC0.7
8C58-cyclohexyl-N-methoxy-5-oxo-2-
{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-
5,8-dihydropyrido[2,3-d]pyrimidine-
6-carboxamide		A3DPK0.71
L0C4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-
1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-
6-YL]METHYL}MORPHOLIN-4-IUM		A2W1C0.73
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL		A1YGJ0.74
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE		A2OJ90.76
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide		A,B2VQV0.75
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide		A2VQM0.75
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.74
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.74
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1RTH0.75
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1RT30.75
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE		A1LW20.75
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GI70.76
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		H,I1GHV0.76
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		A1GHZ0.76
3BA7-amino-2-tert-butyl-4-{[2-(1H-
imidazol-4-yl)ethyl]amino}pyrido[2,3-
d]pyrimidine-6-carboxamide		A3BAA0.74
N4DN,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-
d]pyrimidin-4-yl)amino]benzamide		A3CG20.76
PVBPURVALANOLA1CKP0.71
PVBPURVALANOLA,B1V0P0.71
I242-butoxy-9-(2,6-difluorobenzyl)-
N-(2-morpholin-4-ylethyl)-9H-purin-
6-amine		A,B2VVT0.72
FE1METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D2QHX0.75
L0FN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE		A2W1F0.75
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.72
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.72
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.71
PB4N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUD0.74
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE		A1OIQ0.72
UI16-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-
2-YLAMINO)-2-NAPHTHAMIDE		A1SQA0.71
IFCN-[2-methyl-5-({[3-(4-methyl-1H-
imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-
5-carboxamide		A3DZQ0.73
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.72
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUC0.76
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.75
MUHN-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-
2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE		A2OSC0.73
S796-amino-2-[(1-naphthylmethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A2QZR0.7
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE		A1M510.74
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE		A1NHX0.71
3BI(2S)-2-{[(R)-[(3R)-3-carboxy-3-
{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid		A3BI10.71
IIPIMIDAZOLE-PYRROLE POLYAMIDEA,B365D0.71
45P3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-
D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-
BENZAMIDE		A1RS40.71
OLOOLOMOUCINEA4ERK0.76
OLOOLOMOUCINEC1W0X0.76
CL4N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-
DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-
ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE		A1JR40.73
NEZ6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE		A1Y5W0.74
199N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-
1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE		A1ZYS0.75
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide		A3EXB0.74
3JZN-methyl-N-{2-[({2-[(2-oxo-2,3-
dihydro-1H-indol-5-yl)amino]-5-
(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide		A3FZR0.73
3568-[(3R)-3-Aminopiperidin-1-yl]-
7-but-2-yn-1-yl-3-methyl-1-[(4-
methylquinazolin-2-yl)methyl]-3,7-
dihydro-1H-purine-2,6-dione		A,B2RGU0.74
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2G0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2H0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2HKC0.72
AM62-methyl-N-{4-methyl-3-[(2-{[4-
(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-
5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide		A3BYU0.72
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine		A2R3H0.71
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM		A1Y8J0.7
1N8N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[2-(METHYLAMINO)QUINAZOLIN-6-
YL]BENZAMIDE		A,B2OG80.72
L344-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-
TETRAHYDRO-2,5,6,8,9B-PENTAAZA-
CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-
GLUTAMIC ACID		A,B1DIB0.71
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide		A3D3P0.71
L0HN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE		A2W1H0.75
057N-(2-hydroxy-1,1-dimethylethyl)-
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-
2-yl)-1H-indole-5-carboxamide		A,B3FQH0.71
406N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-
4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-
1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE		A,B2E2B0.74
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.73
AM54-methyl-N~3~-(2-{[4-(4-methylpiperazin-
1-yl)phenyl]amino}pyrimidin-5-yl)-
N~1~-[3-(trifluoromethyl)phenyl]benzene-
1,3-dicarboxamide		A3BYS0.72
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide		A3DBC0.72
MTXMETHOTREXATEA,B1DRB0.75
MTXMETHOTREXATEA,B,C,D2C7V0.75
MTXMETHOTREXATEA1U700.75
MTXMETHOTREXATEA,B,C,D1MXF0.75
MTXMETHOTREXATEA2QK80.75
MTXMETHOTREXATEA,B1RB30.75
MTXMETHOTREXATEA,B1DHJ0.75
MTXMETHOTREXATEA3DAU0.75
MTXMETHOTREXATEA1U720.75
MTXMETHOTREXATEA,B2DRC0.75
MTXMETHOTREXATEA,B1D1G0.75
MTXMETHOTREXATEA,B1DDR0.75
MTXMETHOTREXATEA,B1E7W0.75
MTXMETHOTREXATEA1RX30.75
MTXMETHOTREXATEA3DFR0.75
MTXMETHOTREXATEA,B,C,D1P330.75
MTXMETHOTREXATEA3DAT0.75
MTXMETHOTREXATEA,B1DHI0.75
MTXMETHOTREXATEA,B1TDR0.75
MTXMETHOTREXATEA,B1DRA0.75
MTXMETHOTREXATEA3EIG0.75
MTXMETHOTREXATEA3CD20.75
MTXMETHOTREXATEA1AO80.75
MTXMETHOTREXATEA1DF70.75
MTXMETHOTREXATEA1DLS0.75
MTXMETHOTREXATEA1RG70.75
MTXMETHOTREXATEA1RH30.75
MTXMETHOTREXATEA,B4DFR0.75
MTXMETHOTREXATEA1RA30.75
MTXMETHOTREXATEA,B1DDS0.75
MTXMETHOTREXATEA1DRE0.75
MTXMETHOTREXATEA,B1AXW0.75
MTXMETHOTREXATEA3CL90.75
MTXMETHOTREXATEA,B3DRC0.75
MTXMETHOTREXATEA,B,C,D,E2OIP0.75
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine		A2W170.8
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A2IZT0.7
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A2CDZ0.7
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A,B2F570.7
SPP(1-(5-METHANSULPHONAMIDO-1H-INDOL-
2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE		A1KLM0.73
MPZ4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-
N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]PHENYL}BENZAMIDE		A1Y570.75
RRCR-ROSCOVITINEA,B,C,D3DDQ0.74
RRCR-ROSCOVITINEA1YGK0.74
RRCR-ROSCOVITINEA1UNL0.74
RRCR-ROSCOVITINEA2A4L0.74
YAMN-methyl-N-{3-[({2-[(2-oxo-2,3-
dihydro-1H-indol-5-yl)amino]-5-
(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-
2-yl}methanesulfonamide		A3BZ30.72
MPY(3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-
(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-
C]PYRAZOLE-5(3H)-CARBOXAMIDE		A,B,C,D,E,F2BMC0.71
AP9(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL		B2F2C0.7
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1UML0.71
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE		A,B,C,D2AJ80.74
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.72
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.79
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE		A,B3E680.71
3446-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-
G]QUINAZOLIN-8-ONE		A2BBF0.77
MNT2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-
5'-DIPHOSPHATE		A1LVK0.71
NE86-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-
8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE		A1Y5V0.75
IYZ1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-
B]PYRIDAZIN-3-YL}PHENYL)ETHANONE		B2C3I0.74
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID		A,B2BDF0.74
CKR6-amino-2-[(2-morpholin-4-ylethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A3C2N0.75
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.74
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.74
LI8N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-
1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-
4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE		A1Z5M0.71
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B408D0.7
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B1CVY0.7
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol		A,C3DDP0.72
1871-{3-[AMINO(IMINO)METHYL]PHENYL}-
N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-
3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-
5-CARBOXAMIDE		C1X7A0.74
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.76
C193-(2-aminoquinazolin-6-yl)-1-(3,3-
dimethylindolin-6-yl)-4-methylpyridin-
2(1H)-one		A,B3CP90.74
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.71
553(7S)-2-(2-aminopyrimidin-4-yl)-
7-(2-fluoroethyl)-1,5,6,7-tetrahydro-
4H-pyrrolo[3,2-c]pyridin-4-one		A,B3DU80.76
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.89
NILNilotinibA,B,C,D3CS90.79
NILNilotinibA3GP00.79
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.79
7MP7-AMINO-1-METHYL-3-(2-METHYL-5-
{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-
2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-
1-IUM		A,B2HIW0.71
YE7IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDEA2P980.71
279N-ethyl-4-{[5-(methoxycarbamoyl)-
2-methylphenyl]amino}-5-methylpyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide		A2RG50.73
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID		A1E260.72