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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00239218

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
P5C2-{[(1R,2S)-2-aminocyclohexyl]amino}-
4-[(3-methylphenyl)amino]pyrimidine-
5-carboxamide
A3FQE0.74
POX4-amino-6-{[1-(3-fluorobenzyl)-
1H-indazol-5-yl]amino}pyrimidine-
5-carbaldehyde O-(2-methoxyethyl)oxime
A3BEL0.72
FRTN-(2-METHOXYETHYL)-4-({4-[2-METHYL-
1-(1-METHYLETHYL)-1H-IMIDAZOL-5-
YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
A2W050.71
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide
A3D3P0.72
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.75
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.75
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE
E,H1QBV0.71
C193-(2-aminoquinazolin-6-yl)-1-(3,3-
dimethylindolin-6-yl)-4-methylpyridin-
2(1H)-one
A,B3CP90.71
SCF5-(2-fluorophenyl)-N-(pyridin-4-
ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3I0.71
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.71
P0419-(cyclopropylamino)-4,6,7,15-
tetrahydro-5H-16,1-(azenometheno)-
10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-
8(9H)-one
A3BE90.73
PD51-{4-[4-amino-1-(1-methylethyl)-
1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-
3-[3-(trifluoromethyl)phenyl]urea
A3EL80.73
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE
A,B1FPU0.72
3495-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-1,3-dihydro-2H-indol-
2-one
A3ET70.72
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.71
IZZ(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-
b]pyridazin-6-yl]amino}-3-methylbutan-
1-ol
A3F2N0.71
CL3N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3-
B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE
A1Y2G0.75
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A1BL70.7
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A3ERK0.7
AJI3-[(4-fluorophenyl)sulfanyl]-N-
(4-methyl-1,3-thiazol-2-yl)-6-[(4-
methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-
2-carboxamide
X3A0I0.7
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
A2W170.73
FYX4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-
3-YL)PYRIDINE-2-CARBONITRILE
A,B1V970.73
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline
A3DKG0.74
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline
A3DKF0.74
P1E4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-N-methylbenzenesulfonamide
A3H3C0.71
KS11-cyclopentyl-3-(1H-pyrrolo[2,3-
b]pyridin-5-yl)-1H-pyrazolo[3,4-
d]pyrimidin-4-amine
A,B3EN40.7
1N1N-(2-CHLORO-6-METHYLPHENYL)-2-({6-
[4-(2-HYDROXYETHYL)PIPERAZIN-1-
YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-
1,3-THIAZOLE-5-CARBOXAMIDE
A,B2GQG0.71
1N1N-(2-CHLORO-6-METHYLPHENYL)-2-({6-
[4-(2-HYDROXYETHYL)PIPERAZIN-1-
YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-
1,3-THIAZOLE-5-CARBOXAMIDE
A2ZVA0.71
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,B1MFP0.7
PP11-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-4-YLAMINE
A2IVV0.71
PP11-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-4-YLAMINE
A1QCF0.71
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.73
AK31-(5-{2-[(1-methyl-1H-pyrazolo[4,3-
d]pyrimidin-7-yl)amino]ethyl}-1,3-
thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
A3D2I0.72
LI8N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-
1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-
4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE
A1Z5M0.78
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
A,B1LXC0.72
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.71
IM92-{4-[4-({4-[2-methyl-1-(1-methylethyl)-
1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-
1-yl}-2-oxoethanol
A2VV90.73
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.72
170(2-[6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-
2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-
2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE
A,B1SL30.71
NILNilotinibA,B,C,D3CS90.72
NILNilotinibA3GP00.72
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.7
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide
A,B3DK30.7
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide
A,B3DK70.7
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide
A,B3DK60.7
AK71-(5-{2-[(6-amino-5-bromopyrimidin-
4-yl)amino]ethyl}-1,3-thiazol-2-
yl)-3-[3-(trifluoromethyl)phenyl]urea
A3DJ70.73
VX6CYCLOPROPANECARBOXYLIC ACID {4-
[4-(4-METHYL-PIPERAZIN-1-YL)-6-
(5-METHYL-2H-PYRAZOL-3-YLAMINO)-
PYRIMIDIN-2-YLSULFANYL]-PHENYL}-
AMIDE
A3E5A0.74
VX6CYCLOPROPANECARBOXYLIC ACID {4-
[4-(4-METHYL-PIPERAZIN-1-YL)-6-
(5-METHYL-2H-PYRAZOL-3-YLAMINO)-
PYRIMIDIN-2-YLSULFANYL]-PHENYL}-
AMIDE
A2F4J0.74
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
A1YWR0.7
SCXN-((2-aminopyrimidin-5-yl)methyl)-
5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-
a]pyrimidin-7-amine
A2R3M0.72
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
A3BZ30.74
LQQ6-ACETYL-8-CYCLOPENTYL-5-METHYL-
2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-
D]PYRIMIDIN-7(8H)-ONE
A,B2EUF0.7
CC3N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE
A2NP80.76
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE
A1OIT0.7
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
N4DN,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-
d]pyrimidin-4-yl)amino]benzamide
A3CG20.75
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.72
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.71
PD31-{3-[(4-amino-1-cyclopentyl-1H-
pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-
3-[3-(trifluoromethyl)phenyl]urea
A3EL70.72
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.72
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE
A2J5E0.72
SCZ3-cyclopropyl-5-phenyl-N-(pyridin-
3-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3N0.72
MUHN-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-
2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
A2OSC0.71
SCJ3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3J0.71
VGG1-tert-butyl-3-(3-methylbenzyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine
A2WEI0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.71
KS51-(1-methylethyl)-3-quinolin-6-
yl-1H-pyrazolo[3,4-d]pyrimidin-
4-amine
B3EN60.72
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.71
HM53-[(2,2-DIMETHYLPROPANOYL)AMINO]-
N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE
A2NQ70.71
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.72
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.75
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.71
8C58-cyclohexyl-N-methoxy-5-oxo-2-
{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-
5,8-dihydropyrido[2,3-d]pyrimidine-
6-carboxamide
A3DPK0.7
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.74
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.74
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
A1KMS0.7
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A2RHQ0.72
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A,B,C,D2RHS0.72
MPZ4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-
N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]PHENYL}BENZAMIDE
A1Y570.72
6852-{2-[(3,5-dimethylphenyl)amino]pyrimidin-
4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-
4-methyl-1,3-thiazole-5-carboxamide
A3EMG0.72
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile
A3CY30.71
T74N~3~-(2,6-dimethylphenyl)-1-(3-
methoxy-3-methylbutyl)-N~6~-(4-
piperazin-1-ylphenyl)-1H-pyrazolo[3,4-
d]pyrimidine-3,6-diamine
A,B3EQR0.72
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.73
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
A1BMK0.7
618(3R,6R,9AR)-2,2-DIMETHYL-6-[(N-
METHYL-L-ALANYL)AMINO]-N-(3-METHYL-
1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-
2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-
A]AZEPINE-3-CARBOXAMIDE
A,B2I3I0.71
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE
A,B2HWO0.71
5SC3-((3-bromo-5-o-tolylpyrazolo[1,5-
a]pyrimidin-7-ylamino)methyl)pyridine 1-
oxide
A2R3Q0.7
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A1PXO0.72
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A,C2C5P0.72
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine
A3CQU0.74
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide
A3EXB0.7
P63N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
A2PVN0.72
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE
A,B,C,D2HYY0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE
A,B1IEP0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE
A,B1OPJ0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE
A1T460.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE
A3GVU0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE
A2OIQ0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE
A3FW10.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE
A2PL00.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE
A1XBB0.71
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.72