SCHEMBL395181

SCHEMBL395181

Cc1c(C(=O)O)c(C)n(C(CC(N)=O)N(C)C)c1C=C1C(=O)Nc2cc(Nc3cccc(NC(=O)c4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)c3)ccc21

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 13/20 0.69
▸ NTRK2 Q16620 8/20 0.64
▸ NTRK3 Q16288 3/20 0.53
▸ RAF1 P04049 2/20 0.49
▸ AURKA O14965 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ BRAF P15056 1/20 0.42
▸ CSF1R P07333 2/20 0.38
▸ TEK Q02763 1/20 0.38

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
SCHEMBL398470 0.82 NTRK1 (1.00) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL398471 0.82 NTRK1 (1.00) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL395051 0.81 NTRK1 (0.45) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL396375 0.81 NTRK1 (0.54) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL397947 0.80 NTRK1 (0.58) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL397888 0.78 NTRK1 (1.00) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL397889 0.78 NTRK1 (1.00) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL395043 0.78 NTRK2 (0.89) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL395044 0.78 NTRK2 (0.89) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL396895 0.78 NTRK1 (0.66) NTRK1NTRK2NTRK3RAF1AURKA

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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