SCHEMBL12537484

SCHEMBL12537484

CCc1cc(C(=O)c2cncc(NC(=O)NC)c2)c2c(N)ncnn12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 15/20 0.48
▸ NTRK2 Q16620 6/20 0.45
▸ AXL P30530 2/20 0.40
▸ MERTK Q12866 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36

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
SCHEMBL14537222 0.84 NTRK1 (0.67) NTRK1NTRK2KCNH2NTRK3
SCHEMBL4708490 0.81 NTRK1 (0.52) NTRK1NTRK2AXLMERTKKCNH2
SCHEMBL4711702 0.79 NTRK1 (0.50) NTRK1NTRK2NTRK3
SCHEMBL12537616 0.76 NTRK1 (0.68) NTRK1NTRK2KCNH2NTRK3
SCHEMBL12537492 0.76 NTRK2 (0.51) NTRK1NTRK2
SCHEMBL1924948 0.74 NTRK1 (0.69) NTRK1NTRK2KCNH2NTRK3
SCHEMBL1925611 0.74 NTRK1 (0.71) NTRK1NTRK2
SCHEMBL3980576 0.74 NTRK1 (0.69) NTRK1NTRK2AXLMERTK
SCHEMBL13869078 0.74 NTRK1 (0.51) NTRK1NTRK2AXLMERTKCSNK2A2
SCHEMBL1925304 0.73 NTRK2 (0.79) NTRK1NTRK2

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-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 — — EP disclosed
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