SCHEMBL394109

SCHEMBL394109

Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Nc1ccc2c(c1)NC(=O)C2=Cc1[nH]c(C)c(C(=O)NCCN(C)C)c1C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.61
AURKB Q96GD4 3/20 0.61
KDR P35968 10/20 0.60
FLT4 P35916 5/20 0.60
KIT P10721 2/20 0.60
CSF1R P07333 4/20 0.60
PRKAA1 Q13131 6/20 0.57
PRKAA2 P54646 5/20 0.57
PDGFRB P09619 2/20 0.57
FGFR1 P11362 2/20 0.57
NTRK2 Q16620 1/20 0.53

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
SCHEMBL10091886 1.00 FLT3 (0.61) FLT3AURKBKDRFLT4KIT
SCHEMBL396158 0.93 CSF1R (0.69) FLT3AURKBKDRFLT4KIT
SCHEMBL10091875 0.93 CSF1R (0.69) FLT3AURKBKDRFLT4KIT
SCHEMBL394230 0.93 FLT3 (0.65) FLT3AURKBKDRFLT4KIT
SCHEMBL10091945 0.93 FLT3 (0.65) FLT3AURKBKDRFLT4KIT
SCHEMBL10091892 0.89 NTRK2 (0.65) FLT3AURKBKDRFLT4KIT
SCHEMBL396405 0.89 NTRK2 (0.65) FLT3AURKBKDRFLT4KIT
SCHEMBL396343 0.89 FLT3 (0.66) FLT3AURKBKDRFLT4KIT
SCHEMBL10091880 0.89 FLT3 (0.66) FLT3AURKBKDRFLT4KIT
SCHEMBL4133365 0.88 FLT3 (0.77) FLT3AURKBKDRFLT4KIT

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