SCHEMBL396427

SCHEMBL396427

CN(C)C(CC(N)=O)n1cc(C(=O)O)cc1C=C1C(=O)Nc2cc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.46
▸ NTRK3 Q16288 2/20 0.46
▸ NTRK2 Q16620 8/20 0.41
▸ POLB P06746 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ BRAF P15056 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ TEK Q02763 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
SCHEMBL396457 0.91 KDR (0.38) NTRK1NTRK3KDRKITFGFR1
SCHEMBL395051 0.85 NTRK1 (0.45) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL399189 0.85 NTRK1 (0.46) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL398657 0.80 NTRK1 (0.37) NTRK1NTRK3NTRK2KDRBRAF
SCHEMBL395940 0.77 NTRK1 (0.61) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL395941 0.77 NTRK1 (0.61) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL393968 0.77 NTRK1 (0.44) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL396227 0.76 NTRK1 (0.45) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL4125355 0.75 NTRK1 (0.61) NTRK1NTRK3NTRK2POLBCTDSP1
SCHEMBL4131689 0.75 NTRK1 (0.61) 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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