SCHEMBL396419

SCHEMBL396419

Cc1ccc(NC(=O)c2ccccc2)cc1Nc1ccc2c(c1)NC(=O)C2=Cc1[nH]c(C)c(C(=O)NCCN2CCCC2)c1C

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.66
FLT3 P36888 7/20 0.66
AURKB Q96GD4 5/20 0.66
PDGFRB P09619 5/20 0.66
MET P08581 2/20 0.66
KIT P10721 2/20 0.60
AURKA O14965 2/20 0.60
LCK P06239 1/20 0.60
KCNH2 Q12809 1/20 0.60
FGFR1 P11362 3/20 0.59
TLK2 Q86UE8 1/20 0.59
NTRK2 Q16620 1/20 0.54
FLT4 P35916 3/20 0.52
NTRK1 P04629 1/20 0.52
CSF1R P07333 4/20 0.49
PRKAA1 Q13131 4/20 0.48
PRKAA2 P54646 3/20 0.48
AURKC Q9UQB9 1/20 0.47

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
SCHEMBL10091904 1.00 KDR (0.66) KDRFLT3AURKBPDGFRBMET
SCHEMBL10091917 0.95 KDR (0.65) KDRFLT3AURKBPDGFRBMET
SCHEMBL396165 0.95 KDR (0.65) KDRFLT3AURKBPDGFRBMET
SCHEMBL396343 0.94 FLT3 (0.66) KDRFLT3AURKBPDGFRBMET
SCHEMBL10091880 0.94 FLT3 (0.66) KDRFLT3AURKBPDGFRBMET
SCHEMBL10091849 0.94 KDR (0.74) KDRFLT3AURKBPDGFRBMET
SCHEMBL395532 0.94 KDR (0.74) KDRFLT3AURKBPDGFRBMET
SCHEMBL399268 0.93 KDR (0.64) KDRFLT3AURKBPDGFRBMET
SCHEMBL10091888 0.93 KDR (0.64) KDRFLT3AURKBPDGFRBMET
SCHEMBL396892 0.93 KDR (0.73) KDRFLT3AURKBPDGFRBMET

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