SCHEMBL397475

SCHEMBL397475

Cc1[nH]c(C=C2C(=O)Nc3cc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc32)c(C)c1C(=O)N(C)CCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 1/20 0.53
NTRK1 P04629 2/20 0.50
NTRK3 Q16288 1/20 0.47
FLT3 P36888 9/20 0.47
AURKB Q96GD4 8/20 0.47
PDGFRB P09619 3/20 0.45
MET P08581 2/20 0.45
AURKA O14965 1/20 0.45
AURKC Q9UQB9 1/20 0.45
KDR P35968 6/20 0.45
FLT4 P35916 3/20 0.45
KIT P10721 2/20 0.45
PRKAA2 P54646 3/20 0.45
PRKAA1 Q13131 3/20 0.45
FGFR1 P11362 1/20 0.45
CSF1R P07333 3/20 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
SCHEMBL396225 0.93 NTRK2 (0.53) NTRK2NTRK1NTRK3FLT3AURKB
SCHEMBL396226 0.93 NTRK2 (0.53) NTRK2NTRK1NTRK3FLT3AURKB
SCHEMBL396254 0.91 FLT3 (0.48) NTRK2FLT3AURKBPDGFRBMET
SCHEMBL10091941 0.91 FLT3 (0.48) NTRK2FLT3AURKBPDGFRBMET
SCHEMBL10091923 0.90 NTRK2 (0.64) NTRK2NTRK1NTRK3FLT3AURKB
SCHEMBL10091925 0.90 NTRK2 (0.66) NTRK2NTRK1NTRK3FLT3AURKB
SCHEMBL395050 0.90 NTRK2 (0.66) NTRK2NTRK1NTRK3FLT3AURKB
SCHEMBL4131689 0.89 NTRK1 (0.61) NTRK2NTRK1NTRK3FLT3AURKB
SCHEMBL4125355 0.89 NTRK1 (0.61) NTRK2NTRK1NTRK3FLT3AURKB
SCHEMBL4125472 0.88 NTRK1 (0.54) NTRK2NTRK1NTRK3FLT3AURKB

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