SCHEMBL14537391

SCHEMBL14537391

CN(C)Cc1cc(C(=O)C2=CNCC(NC(=O)Nc3ccc(Cl)cc3Cl)=C2)c2c(N)ncnn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK2 Q16620 4/20 0.56
▸ NTRK1 P04629 3/20 0.56
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ ERBB3 P21860 1/20 0.34
▸ ERBB4 Q15303 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ KDR P35968 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
SCHEMBL13885180 0.80 NTRK2 (0.83) NTRK2NTRK1EGFRERBB2ERBB3
SCHEMBL12537616 0.79 NTRK1 (0.68) NTRK2NTRK1EGFRERBB2ERBB3
SCHEMBL1924640 0.71 NTRK2 (1.00) NTRK2NTRK1EGFRERBB2ERBB3
SCHEMBL1925304 0.71 NTRK2 (0.79) NTRK2NTRK1EGFRERBB2ERBB3
SCHEMBL12537229 0.68 NTRK2 (0.71) NTRK2NTRK1EGFRERBB2ERBB3
SCHEMBL1926089 0.67 NTRK2 (0.72) NTRK2NTRK1EGFRERBB2ERBB3
SCHEMBL12537482 0.67 NTRK2 (0.53) NTRK2NTRK1LMNANPC1POLB
SCHEMBL13885220 0.67 NTRK2 (0.74) NTRK2NTRK1EGFRERBB2ERBB3
SCHEMBL1925284 0.67 NTRK2 (0.74) NTRK2NTRK1EGFRERBB2ERBB3
SCHEMBL1925817 0.67 NTRK1 (0.59) NTRK2NTRK1EGFRERBB2ERBB3

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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