SCHEMBL393780

SCHEMBL393780

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.52
▸ NTRK3 Q16288 2/20 0.52
▸ POLB P06746 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ NTRK2 Q16620 6/20 0.45
▸ AURKA O14965 1/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ FLT3 P36888 4/20 0.43
▸ FLT4 P35916 3/20 0.43
▸ KDR P35968 3/20 0.43
▸ KIT P10721 1/20 0.43
▸ AURKB Q96GD4 4/20 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
SCHEMBL397947 0.97 NTRK1 (0.58) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL395945 0.93 NTRK1 (0.51) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL394231 0.91 FLT3 (0.50) NTRK1FLT3FLT4KDRKIT
SCHEMBL396230 0.90 NTRK1 (0.56) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL396406 0.88 NTRK1 (0.55) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL397868 0.87 NTRK1 (0.52) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL399113 0.87 NTRK1 (0.51) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL398007 0.86 NTRK1 (0.60) NTRK1NTRK3POLBNTRK2AURKA
SCHEMBL396341 0.86 NTRK1 (0.63) NTRK1NTRK3POLBNTRK2AURKA
SCHEMBL394110 0.85 FLT3 (0.48) NTRK1NTRK3NTRK2AURKASRC

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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