SCHEMBL12509736

SCHEMBL12509736

Cc1cccc(Nc2nccc(-c3ccc(NCc4cccs4)s3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.55
SRC P12931 5/20 0.55
ZAP70 P43403 5/20 0.55
SYK P43405 5/20 0.55
PIK3CA P42336 2/20 0.48
PIK3CG P48736 2/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
PIK3CB P42338 1/20 0.46
CDK1 P06493 2/20 0.45
CCNB2 O95067 1/20 0.45
RET P07949 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
DYRK1A Q13627 1/20 0.44
SMG1 Q96Q15 1/20 0.43
KCNH3 Q9ULD8 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CDK4 P11802 4/20 0.41
FLT1 P17948 1/20 0.40

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
SCHEMBL12509738 0.85 CDK2 (0.53) CDK2SRCZAP70SYKPIK3CA
SCHEMBL13154205 0.84 SOS1 (0.53) CDK2SRCZAP70SYKPIK3CA
SCHEMBL2197545 0.83 CDK2 (0.51) CDK2SRCZAP70SYKPIK3CA
SCHEMBL14538029 0.83 CDK2 (0.60) CDK2SRCZAP70SYKPIK3CA
SCHEMBL12509789 0.82 PIK3CA (0.56) CDK2SRCZAP70SYKPIK3CA
SCHEMBL13154202 0.82 CDK2 (0.53) CDK2SRCZAP70SYKPIK3CA
SCHEMBL13154194 0.82 CDK2 (0.52) CDK2SRCZAP70SYKPIK3CA
SCHEMBL12509621 0.82 CDK2 (0.49) CDK2SRCZAP70SYKPIK3CA
SCHEMBL12509519 0.81 PIK3CG (0.52) CDK2SRCZAP70SYKPIK3CA
SCHEMBL7470877 0.81 CDK2 (0.70) CDK2SRCZAP70SYKPIK3CA

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
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed