SCHEMBL394537

SCHEMBL394537

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCCC2)c1C=C1C(=O)Nc2cc(Nc3cccc(NC(=O)c4ccccc4)c3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.52
▸ FLT3 P36888 4/20 0.46
▸ FLT4 P35916 3/20 0.46
▸ KDR P35968 3/20 0.46
▸ KIT P10721 1/20 0.46
▸ NTRK3 Q16288 3/20 0.46
▸ NTRK2 Q16620 6/20 0.44
▸ MAPK14 Q16539 1/20 0.42
▸ AURKB Q96GD4 3/20 0.41
▸ TLK2 Q86UE8 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ SRC P12931 1/20 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
SCHEMBL398246 0.99 NTRK1 (0.53) NTRK1FLT3FLT4KDRKIT
SCHEMBL396423 0.96 FLT3 (0.51) NTRK1FLT3FLT4KDRKIT
SCHEMBL396893 0.96 FLT3 (0.47) NTRK1FLT3FLT4KDRKIT
SCHEMBL395533 0.95 FLT3 (0.48) NTRK1FLT3FLT4KDRKIT
SCHEMBL393773 0.94 TLK2 (0.48) NTRK1FLT3FLT4KDRKIT
SCHEMBL394130 0.92 NTRK1 (0.56) NTRK1FLT3FLT4KDRKIT
SCHEMBL396420 0.92 MAPK14 (0.45) NTRK1FLT3FLT4KDRKIT
SCHEMBL394096 0.92 NTRK1 (0.56) NTRK1FLT3FLT4KDRKIT
SCHEMBL396344 0.89 FLT3 (0.47) NTRK1FLT3FLT4KDRKIT
SCHEMBL397416 0.89 NTRK1 (0.51) NTRK1FLT3FLT4KDRKIT

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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