SCHEMBL6254567

SCHEMBL6254567

Cc1cc(C)cc(Nc2nccc(-c3c[nH]c4ccc(Cl)cc34)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.59
RET P07949 5/20 0.55
CCNB2 O95067 5/20 0.54
CDK1 P06493 5/20 0.54
CCNB1 P14635 5/20 0.54
CCNB3 Q8WWL7 5/20 0.54
PIK3CG P48736 3/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
EIF2AK2 P19525 1/20 0.52
CDK2 P24941 3/20 0.47
GSK3B P49841 2/20 0.47
CDK4 P11802 1/20 0.47
SRC P12931 3/20 0.47
ZAP70 P43403 3/20 0.47
SYK P43405 3/20 0.47
DYRK1A Q13627 1/20 0.47
FLT3 P36888 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL7623938 0.86 CCNB2 (0.63) MAP3K14RETCCNB2CDK1CCNB1
SCHEMBL140969 0.85 CCNB2 (0.64) MAP3K14RETCCNB2CDK1CCNB1
SCHEMBL12723014 0.77 CDK2 (0.51) MAP3K14RETCCNB2CDK1CCNB1
SCHEMBL6259670 0.77 CCNB2 (0.63) MAP3K14RETCCNB2CDK1CCNB1
SCHEMBL20030316 0.77 MAP3K14 (0.75) MAP3K14CCNB2CDK1CCNB1CCNB3
SCHEMBL28691324 0.77 MAP3K14 (0.75) MAP3K14RETCCNB2CDK1CCNB1
SCHEMBL12723149 0.76 CCNB2 (0.52) MAP3K14RETCCNB2CDK1CCNB1
SCHEMBL12723013 0.75 ABL1 (0.58) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL12723154 0.75 CDK1 (0.71) RETCCNB2CDK1CCNB1CCNB3
SCHEMBL30369357 0.74 MAP3K14 (1.00) MAP3K14CCNB2CDK1CCNB1CCNB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002102783-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-12-27 WO claimed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
WO-2002102783-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-12-27 WO disclosed