SCHEMBL14561908

SCHEMBL14561908

C=C(C)c1nc(C)c(-c2ccnc(Nc3ccc(F)c(C)c3)n2)s1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.54
CDK4 P11802 17/20 0.53
PLK1 P53350 3/20 0.51
AURKA O14965 3/20 0.49
CDK1 P06493 3/20 0.49
CDK7 P50613 3/20 0.49
CDK9 P50750 3/20 0.49
AURKB Q96GD4 2/20 0.49
CCNA2 P20248 1/20 0.48
CCNE1 P24864 2/20 0.47

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
SCHEMBL4614057 0.82 CDK2 (0.57) CDK2CDK4PLK1AURKACDK1
SCHEMBL2284139 0.82 CDK2 (0.69) CDK2CDK4PLK1AURKACDK1
SCHEMBL2290008 0.82 CDK2 (0.55) CDK2CDK4PLK1AURKACDK1
SCHEMBL2278842 0.81 CDK2 (0.56) CDK2CDK4PLK1AURKACDK1
SCHEMBL2286557 0.81 CDK2 (0.56) CDK2CDK4PLK1AURKACDK1
SCHEMBL2289382 0.79 CDK2 (0.56) CDK2CDK4PLK1AURKACDK1
SCHEMBL2282084 0.78 CDK4 (0.58) CDK2CDK4PLK1AURKACDK1
SCHEMBL2286813 0.77 CDK2 (0.52) CDK2CDK4PLK1AURKACDK1
SCHEMBL6157181 0.77 CDK2 (0.76) CDK2CDK4PLK1AURKACDK1
SCHEMBL2084100 0.74 CDK2 (0.60) CDK2CDK4PLK1AURKACDK1

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
EP-1760082-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as anti-proliferative compounds Cyclacel Limited (GB) 2007-03-07 EP disclosed