SCHEMBL393208

SCHEMBL393208

Cc1[nH]c(C=C2C(=O)Nc3cc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc32)c(C)c1C(=O)NN1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.61
NTRK2 Q16620 4/20 0.56
AURKB Q96GD4 10/20 0.48
FLT3 P36888 10/20 0.48
NTRK3 Q16288 1/20 0.47
KDR P35968 4/20 0.47
PDGFRB P09619 3/20 0.47
MET P08581 2/20 0.47
KIT P10721 3/20 0.45
FLT4 P35916 2/20 0.45
AURKA O14965 2/20 0.44
LCK P06239 1/20 0.44
KCNH2 Q12809 1/20 0.44
AURKC Q9UQB9 1/20 0.44
FGFR1 P11362 1/20 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
SCHEMBL10091930 1.00 NTRK1 (0.61) NTRK1NTRK2AURKBFLT3NTRK3
SCHEMBL396247 0.92 NTRK1 (0.61) NTRK1NTRK2AURKBFLT3NTRK3
SCHEMBL396248 0.92 NTRK1 (0.61) NTRK1NTRK2AURKBFLT3NTRK3
SCHEMBL4131689 0.89 NTRK1 (0.61) NTRK1NTRK2AURKBFLT3NTRK3
SCHEMBL4125355 0.89 NTRK1 (0.61) NTRK1NTRK2AURKBFLT3NTRK3
SCHEMBL4125472 0.88 NTRK1 (0.54) NTRK1NTRK2AURKBFLT3NTRK3
SCHEMBL393967 0.86 KDR (0.59) NTRK1NTRK2AURKBFLT3NTRK3
SCHEMBL396168 0.86 KDR (0.59) NTRK1NTRK2AURKBFLT3NTRK3
SCHEMBL10091926 0.86 KDR (0.59) NTRK1NTRK2AURKBFLT3NTRK3
SCHEMBL10091927 0.86 KDR (0.59) NTRK1NTRK2AURKBFLT3NTRK3

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