SCHEMBL395037

SCHEMBL395037

Cc1ccc(NC(=O)c2ccccc2)cc1Nc1cccc2c1NC(=O)C2=Cc1[nH]c(C)c(C(=O)NCCN(C)C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.54
PRKAA1 Q13131 10/20 0.54
PRKAA2 P54646 8/20 0.54
PDGFRB P09619 6/20 0.54
FGFR1 P11362 5/20 0.54
FLT3 P36888 4/20 0.49
AURKB Q96GD4 3/20 0.49
NTRK2 Q16620 3/20 0.48
EGFR P00533 3/20 0.47
KIT P10721 2/20 0.47
NEK2 P51955 2/20 0.47
MELK Q14680 2/20 0.47
GRK5 P34947 3/20 0.46
CSF1R P07333 3/20 0.46
PLK4 O00444 2/20 0.46
DCLK1 O15075 2/20 0.46
PDPK1 O15530 2/20 0.46
DAPK3 O43293 2/20 0.46
ROCK2 O75116 2/20 0.46
RPS6KA5 O75582 2/20 0.46

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
SCHEMBL10091912 1.00 KDR (0.54) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL10091911 0.93 KDR (0.61) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL397244 0.93 KDR (0.61) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL4138549 0.89 FLT3 (0.55) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL3995571 0.89 FLT3 (0.55) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL396153 0.88 KDR (0.55) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL10091913 0.88 KDR (0.55) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL394109 0.85 FLT3 (0.61) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL10091886 0.85 FLT3 (0.61) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL396428 0.85 KDR (0.64) KDRPRKAA1PRKAA2PDGFRBFGFR1

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