SCHEMBL396406

SCHEMBL396406

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.55
▸ FLT3 P36888 6/20 0.48
▸ FLT4 P35916 5/20 0.48
▸ KDR P35968 5/20 0.48
▸ KIT P10721 2/20 0.48
▸ NTRK3 Q16288 3/20 0.46
▸ NTRK2 Q16620 4/20 0.43
▸ AURKB Q96GD4 3/20 0.43
▸ AURKA O14965 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ TLK2 Q86UE8 1/20 0.43

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
SCHEMBL394231 0.96 FLT3 (0.50) NTRK1FLT3FLT4KDRKIT
SCHEMBL396850 0.92 NTRK1 (0.53) NTRK1FLT3FLT4KDRKIT
SCHEMBL397947 0.92 NTRK1 (0.58) NTRK1FLT3FLT4KDRKIT
SCHEMBL394110 0.89 FLT3 (0.48) NTRK1FLT3FLT4KDRKIT
SCHEMBL394525 0.89 FLT3 (0.51) NTRK1FLT3FLT4KDRKIT
SCHEMBL393780 0.88 NTRK1 (0.52) NTRK1FLT3FLT4KDRKIT
SCHEMBL399058 0.87 FLT3 (0.48) NTRK1FLT3FLT4KDRKIT
SCHEMBL398246 0.86 NTRK1 (0.53) NTRK1FLT3FLT4KDRKIT
SCHEMBL398243 0.86 TLK2 (0.48) NTRK1FLT3FLT4KDRKIT
SCHEMBL394537 0.86 NTRK1 (0.52) 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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