SCHEMBL397251

SCHEMBL397251

Cc1c(C(=O)O)c(C)n(C(CC(N)=O)N2CCCC2)c1C=C1C(=O)Nc2cc(NC(=O)c3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.46
▸ FLT4 P35916 5/20 0.46
▸ KDR P35968 5/20 0.46
▸ KIT P10721 2/20 0.46
▸ AURKB Q96GD4 6/20 0.45
▸ NTRK1 P04629 2/20 0.44
▸ TLK2 Q86UE8 3/20 0.43
▸ GSK3B P49841 3/20 0.41
▸ AURKA O14965 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ AURKC Q9UQB9 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
SCHEMBL397416 0.96 NTRK1 (0.51) FLT3FLT4KDRKITAURKB
SCHEMBL395533 0.89 FLT3 (0.48) FLT3FLT4KDRKITAURKB
SCHEMBL396375 0.89 NTRK1 (0.54) FLT3FLT4KDRKITNTRK1
SCHEMBL396893 0.88 FLT3 (0.47) FLT3FLT4KDRKITAURKB
SCHEMBL396423 0.86 FLT3 (0.51) FLT3FLT4KDRKITAURKB
SCHEMBL398246 0.85 NTRK1 (0.53) FLT3FLT4KDRKITAURKB
SCHEMBL394537 0.84 NTRK1 (0.52) FLT3FLT4KDRKITAURKB
SCHEMBL393968 0.84 NTRK1 (0.44) FLT3FLT4KDRKITAURKB
SCHEMBL396420 0.83 MAPK14 (0.45) FLT3FLT4KDRKITAURKB
SCHEMBL396344 0.83 FLT3 (0.47) FLT3FLT4KDRKITAURKB

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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