SCHEMBL2365038

SCHEMBL2365038

Cn1cc(-n2ccc(=O)c(Cc3cc[nH]c3)n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
AURKA O14965 1/20 0.30
TTK P33981 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL13275627 0.83 KDM5A (0.31) KDM5ACYP2C9
SCHEMBL158835 0.80 CYP2C9 (0.35) KDM5ACYP2C9
SCHEMBL13465630 0.80 FYN (0.45) CYP2C9
SCHEMBL2222449 0.80 NTRK1 (0.36) KDM5APRMT5WDR77
SCHEMBL368935 0.80 KDM5A (0.34) KDM5APRMT5WDR77CYP2C9
SCHEMBL173996 0.79 CYP2C9 (0.37) KDM5ACYP2C9
SCHEMBL2274025 0.79 ENPP2 (0.34) CYP2C9
SCHEMBL13275402 0.79 CYP2C9 (0.30) CYP2C9
SCHEMBL2223676 0.79 ENPP2 (0.42) CYP2C9
SCHEMBL173258 0.79 PARP1 (0.38) AURKBCYP2C9

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-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed