SCHEMBL4710759

SCHEMBL4710759

Nc1ncnn2c(Br)cc(C(=O)c3cccc(NC(=O)Nc4cc(CC5CC5)n[nH]4)c3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.52
▸ NTRK2 Q16620 5/20 0.49
▸ EGFR P00533 6/20 0.40
▸ ERBB4 Q15303 6/20 0.40
▸ ERBB2 P04626 5/20 0.40
▸ ERBB3 P21860 5/20 0.40
▸ TEK Q02763 4/20 0.40
▸ KDR P35968 2/20 0.39
▸ PDGFRB P09619 1/20 0.37
▸ KCNJ6 P48051 3/20 0.37
▸ KCNJ5 P48544 3/20 0.37
▸ KCNJ3 P48549 3/20 0.37
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ AURKB Q96GD4 2/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CDK1 P06493 1/20 0.35

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
SCHEMBL1925784 0.78 NTRK2 (0.78) NTRK1NTRK2EGFRERBB4ERBB2
SCHEMBL14537338 0.78 NTRK1 (0.56) NTRK1NTRK2EGFRERBB4ERBB2
SCHEMBL1924527 0.76 NTRK1 (0.56) NTRK1NTRK2EGFRERBB4ERBB2
SCHEMBL3978760 0.76 NTRK1 (0.72) NTRK1NTRK2EGFRERBB4ERBB2
SCHEMBL14537179 0.76 NTRK2 (0.56) NTRK1NTRK2EGFRERBB4ERBB2
SCHEMBL14537181 0.72 AURKB (0.51) NTRK1NTRK2EGFRERBB4ERBB2
SCHEMBL12537481 0.71 NTRK1 (0.51) NTRK1NTRK2CSNK2A2CSNK2A1PIK3CD
SCHEMBL4791492 0.70 KDR (0.43) TEKKDRPDGFRBKCNJ6KCNJ5
SCHEMBL1924932 0.70 NTRK1 (0.72) NTRK1NTRK2EGFRERBB4ERBB2
SCHEMBL1924852 0.69 NTRK2 (0.68) NTRK1NTRK2EGFRERBB4ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948664-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-30 — — EP disclosed
WO-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
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