SCHEMBL395051

SCHEMBL395051

Cc1c(C(=O)O)c(C)n(C(CC(N)=O)N(C)C)c1C=C1C(=O)Nc2cc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.45
▸ NTRK3 Q16288 2/20 0.45
▸ NTRK2 Q16620 6/20 0.39
▸ POLB P06746 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ AURKA O14965 2/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ FLT3 P36888 4/20 0.37
▸ AURKB Q96GD4 3/20 0.37
▸ KIT P10721 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ FLT4 P35916 2/20 0.37
▸ PDGFRB P09619 2/20 0.36
▸ MET P08581 1/20 0.36
▸ AURKC Q9UQB9 1/20 0.36
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ FGFR1 P11362 1/20 0.36

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
SCHEMBL393968 0.89 NTRK1 (0.44) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL396227 0.85 NTRK1 (0.45) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL396427 0.85 NTRK1 (0.46) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL396169 0.84 NTRK1 (0.44) NTRK1NTRK3NTRK2RAF1BRAF
SCHEMBL393780 0.83 NTRK1 (0.52) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL397947 0.81 NTRK1 (0.58) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL395181 0.81 NTRK1 (0.69) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL395953 0.80 NTRK1 (0.48) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL395945 0.80 NTRK1 (0.51) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL396375 0.80 NTRK1 (0.54) NTRK1NTRK3NTRK2POLBCTDSP1

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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