SCHEMBL396894

SCHEMBL396894

CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(-n6cnc(C)c6)cc(C(F)(F)F)c5)c4)ccc32)c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK2 Q16620 5/20 0.69
▸ NTRK1 P04629 6/20 0.68
▸ SRC P12931 3/20 0.68
▸ AURKA O14965 2/20 0.68
▸ RAF1 P04049 1/20 0.68
▸ CSF1R P07333 7/20 0.60
▸ PRKAA1 Q13131 7/20 0.56
▸ KDR P35968 6/20 0.56
▸ PRKAA2 P54646 5/20 0.56
▸ PDGFRB P09619 4/20 0.53
▸ FGFR1 P11362 3/20 0.53
▸ FLT3 P36888 4/20 0.53
▸ AURKB Q96GD4 3/20 0.53
▸ PLK4 O00444 2/20 0.51
▸ DCLK1 O15075 2/20 0.51
▸ PDPK1 O15530 2/20 0.51
▸ DAPK3 O43293 2/20 0.51
▸ ROCK2 O75116 2/20 0.51
▸ RPS6KA5 O75582 2/20 0.51
▸ RPS6KA4 O75676 2/20 0.51

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
SCHEMBL10091918 1.00 NTRK2 (0.69) NTRK2NTRK1SRCAURKARAF1
SCHEMBL10091867 0.97 CSF1R (0.65) NTRK2NTRK1SRCAURKARAF1
SCHEMBL395674 0.97 CSF1R (0.65) NTRK2NTRK1SRCAURKARAF1
SCHEMBL394405 0.96 CSF1R (0.64) NTRK2NTRK1SRCAURKARAF1
SCHEMBL10091858 0.96 CSF1R (0.64) NTRK2NTRK1SRCAURKARAF1
SCHEMBL396340 0.91 NTRK2 (0.69) NTRK2NTRK1SRCAURKARAF1
SCHEMBL10091887 0.91 NTRK2 (0.69) NTRK2NTRK1SRCAURKARAF1
SCHEMBL10091869 0.91 NTRK2 (0.67) NTRK2NTRK1SRCAURKARAF1
SCHEMBL398006 0.91 NTRK2 (0.67) NTRK2NTRK1SRCAURKARAF1
SCHEMBL396704 0.90 NTRK1 (0.76) NTRK2NTRK1SRCAURKARAF1

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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