SCHEMBL14537179

SCHEMBL14537179

CN(C)Cc1cc(C(=O)c2cccc(NC(=O)Nc3cc(C4CC4)n[nH]3)c2)c2c(N)ncnn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK2 Q16620 5/20 0.56
▸ NTRK1 P04629 4/20 0.56
▸ EGFR P00533 6/20 0.39
▸ ERBB4 Q15303 6/20 0.39
▸ ERBB2 P04626 5/20 0.39
▸ ERBB3 P21860 5/20 0.39
▸ TEK Q02763 4/20 0.39
▸ PDGFRB P09619 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ CSNK2A2 P19784 2/20 0.37
▸ CSNK2A1 P68400 2/20 0.37
▸ AURKB Q96GD4 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ PIK3CD O00329 4/20 0.35
▸ TNK2 Q07912 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CDK1 P06493 1/20 0.34

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
SCHEMBL14537338 0.88 NTRK1 (0.56) NTRK2NTRK1EGFRERBB4ERBB2
SCHEMBL12537487 0.86 NTRK2 (0.55) NTRK2NTRK1EGFRERBB4ERBB2
SCHEMBL3978760 0.86 NTRK1 (0.72) NTRK2NTRK1EGFRERBB4ERBB2
SCHEMBL14537181 0.82 AURKB (0.51) NTRK2NTRK1EGFRERBB4ERBB2
SCHEMBL13885180 0.80 NTRK2 (0.83) NTRK2NTRK1EGFRERBB4ERBB2
SCHEMBL12537701 0.77 NTRK2 (0.55) NTRK2NTRK1PDGFRBCSNK2A2CSNK2A1
SCHEMBL4710759 0.76 NTRK1 (0.52) NTRK2NTRK1EGFRERBB4ERBB2
SCHEMBL12537482 0.76 NTRK2 (0.53) NTRK2NTRK1CSNK2A2CSNK2A1PIK3CD
SCHEMBL1925959 0.74 NTRK1 (0.50) NTRK2NTRK1EGFRERBB4ERBB2
SCHEMBL1924036 0.73 NTRK1 (0.57) NTRK2NTRK1EGFRERBB4ERBB2

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-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
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