SCHEMBL396340

SCHEMBL396340

Cc1cn(-c2cc(C(=O)Nc3cccc(NC(=O)Nc4ccc5c(c4)NC(=O)C5=Cc4[nH]c(C)c(C(=O)NCCN(C)C)c4C)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTRK2 Q16620 3/20 0.69
▸ NTRK1 P04629 4/20 0.63
▸ AURKA O14965 1/20 0.63
▸ RAF1 P04049 1/20 0.63
▸ SRC P12931 1/20 0.63
▸ CSF1R P07333 6/20 0.57
▸ FLT3 P36888 3/20 0.54
▸ AURKB Q96GD4 2/20 0.54
▸ KDR P35968 5/20 0.49
▸ PRKAA1 Q13131 5/20 0.49
▸ PRKAA2 P54646 4/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ KIT P10721 1/20 0.48
▸ FLT4 P35916 1/20 0.48

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
SCHEMBL10091887 1.00 NTRK2 (0.69) NTRK2NTRK1AURKARAF1SRC
SCHEMBL398006 0.96 NTRK2 (0.67) NTRK2NTRK1AURKARAF1SRC
SCHEMBL10091869 0.96 NTRK2 (0.67) NTRK2NTRK1AURKARAF1SRC
SCHEMBL395674 0.95 CSF1R (0.65) NTRK2NTRK1AURKARAF1SRC
SCHEMBL10091867 0.95 CSF1R (0.65) NTRK2NTRK1AURKARAF1SRC
SCHEMBL396894 0.91 NTRK2 (0.69) NTRK2NTRK1AURKARAF1SRC
SCHEMBL10091918 0.91 NTRK2 (0.69) NTRK2NTRK1AURKARAF1SRC
SCHEMBL396191 0.91 NTRK2 (0.65) NTRK2NTRK1AURKARAF1SRC
SCHEMBL10091881 0.91 NTRK2 (0.65) NTRK2NTRK1AURKARAF1SRC
SCHEMBL394405 0.91 CSF1R (0.64) NTRK2NTRK1AURKARAF1SRC

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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