SCHEMBL8293172

SCHEMBL8293172

Nc1cccc(Nc2nccc(-c3cccc(Cn4cncn4)c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.59
BCR P11274 7/20 0.59
SRC P12931 3/20 0.59
EGFR P00533 1/20 0.59
PRKACA P17612 1/20 0.59
PRKACG P22612 1/20 0.59
PRKACB P22694 1/20 0.59
CAMK2D Q13557 2/20 0.55
PLK1 P53350 2/20 0.53
CDK5 Q00535 2/20 0.51
CYP19A1 P11511 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
CDK5R1 Q15078 1/20 0.48
JAK2 O60674 2/20 0.47
MAPK10 P53779 1/20 0.46
CDK4 P11802 1/20 0.45
CDK2 P24941 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4909103 0.88 PLK1 (0.50) ABL1BCRSRCEGFRPRKACA
SCHEMBL14172505 0.87 CYP19A1 (0.47) ABL1BCRSRCEGFRPRKACA
SCHEMBL4733854 0.86 PLK1 (0.58) ABL1BCRSRCEGFRPLK1
SCHEMBL4908502 0.86 SMG1 (0.52) ABL1BCRCYP19A1MAPK10CDK4
SCHEMBL4909096 0.86 PIK3CG (0.59) ABL1BCRSRCEGFRCAMK2D
SCHEMBL4733315 0.84 ABL1 (0.50) ABL1BCRCDK5CYP19A1JAK2
SCHEMBL4906193 0.84 ABL1 (0.63) ABL1BCRSRCEGFRPLK1
SCHEMBL4738283 0.83 MEN1 (0.59) PLK1CDK5CYP19A1MEN1NPC1
SCHEMBL4735369 0.83 MAPK10 (0.49) ABL1BCRCAMK2DPLK1CDK5
SCHEMBL4803114 0.81 PLK1 (0.64) ABL1BCRSRCEGFRPLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed