SCHEMBL7473582

SCHEMBL7473582

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.65
SRC P12931 3/20 0.65
ZAP70 P43403 3/20 0.65
SYK P43405 3/20 0.65
PIK3CA P42336 2/20 0.63
PIK3CG P48736 2/20 0.63
ABL1 P00519 1/20 0.63
BCR P11274 1/20 0.63
PIK3CB P42338 1/20 0.59
IKBKB O14920 2/20 0.57
DKK1 O94907 1/20 0.57
GSK3B P49841 1/20 0.57
CDK1 P06493 3/20 0.57
CCNB1 P14635 2/20 0.57
CCNB2 O95067 1/20 0.57
RET P07949 1/20 0.57
CCNB3 Q8WWL7 1/20 0.57
DYRK1A Q13627 1/20 0.56
CDK4 P11802 7/20 0.52
SMG1 Q96Q15 1/20 0.52

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
SCHEMBL2198846 0.88 CDK2 (0.61) CDK2SRCZAP70SYKPIK3CA
SCHEMBL12423167 0.88 PIK3CG (0.66) CDK2SRCZAP70SYKPIK3CA
SCHEMBL14538029 0.87 CDK2 (0.60) CDK2SRCZAP70SYKPIK3CA
Hydrochloric Acid SCHEMBL2194727 0.87 CDK2 (0.60) CDK2SRCZAP70SYKPIK3CA
SCHEMBL12509734 0.85 ABL1 (0.59) CDK2SRCZAP70SYKPIK3CA
SCHEMBL7468136 0.85 PIK3CG (0.68) CDK2SRCZAP70SYKPIK3CA
SCHEMBL2194717 0.84 ABL1 (0.58) CDK2SRCZAP70SYKPIK3CA
SCHEMBL7470877 0.84 CDK2 (0.70) CDK2SRCZAP70SYKPIK3CA
SCHEMBL14216222 0.83 CDK2 (0.79) CDK2SRCZAP70SYKPIK3CA
SCHEMBL12423706 0.82 PIK3CG (0.68) 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
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed