SCHEMBL399113

SCHEMBL399113

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCC2)c1C=C1C(=O)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.51
▸ NTRK3 Q16288 2/20 0.51
▸ NTRK2 Q16620 7/20 0.46
▸ POLB P06746 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ AURKA O14965 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ FLT4 P35916 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ KIT P10721 1/20 0.42
▸ AURKB Q96GD4 3/20 0.41

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
SCHEMBL394096 0.97 NTRK1 (0.56) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL394130 0.96 NTRK1 (0.56) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL397179 0.94 NTRK1 (0.48) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL395533 0.91 FLT3 (0.48) NTRK1FLT4KDRFLT3KIT
SCHEMBL396893 0.90 FLT3 (0.47) NTRK1FLT4KDRFLT3KIT
SCHEMBL396423 0.89 FLT3 (0.51) NTRK1NTRK3NTRK2AURKAFLT4
SCHEMBL398246 0.89 NTRK1 (0.53) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL394537 0.88 NTRK1 (0.52) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL396375 0.88 NTRK1 (0.54) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL396169 0.87 NTRK1 (0.44) NTRK1NTRK3NTRK2RAF1

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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