SCHEMBL396169

SCHEMBL396169

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCOCC2)c1C=C1C(=O)Nc2cc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.44
▸ NTRK3 Q16288 1/20 0.44
▸ NTRK2 Q16620 2/20 0.40
▸ RAF1 P04049 16/20 0.40
▸ BRAF P15056 15/20 0.40

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
SCHEMBL395025 0.92 FLT3 (0.38) NTRK1NTRK3
SCHEMBL399113 0.87 NTRK1 (0.51) NTRK1NTRK3NTRK2RAF1
SCHEMBL393968 0.86 NTRK1 (0.44) NTRK1NTRK3NTRK2RAF1
SCHEMBL394096 0.86 NTRK1 (0.56) NTRK1NTRK3NTRK2RAF1
SCHEMBL394130 0.85 NTRK1 (0.56) NTRK1NTRK3NTRK2RAF1
SCHEMBL395051 0.84 NTRK1 (0.45) NTRK1NTRK3NTRK2RAF1BRAF
SCHEMBL397179 0.82 NTRK1 (0.48) NTRK1NTRK3NTRK2RAF1BRAF
SCHEMBL396227 0.79 NTRK1 (0.45) NTRK1NTRK3NTRK2RAF1BRAF
SCHEMBL393780 0.79 NTRK1 (0.52) NTRK1NTRK3NTRK2RAF1
SCHEMBL396735 0.78 NTRK1 (0.37) NTRK1NTRK3NTRK2RAF1BRAF

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
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 — — US claimed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 — — US disclosed
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