SCHEMBL395024

SCHEMBL395024

Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)NC(=O)C4=Cc3[nH]c(C)c(C(=O)NCCN4CCOCC4)c3C)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.61
PDGFRB P09619 5/20 0.61
FGFR1 P11362 3/20 0.61
AURKB Q96GD4 7/20 0.59
FLT3 P36888 6/20 0.59
MET P08581 3/20 0.59
LCK P06239 2/20 0.54
KIT P10721 2/20 0.54
AURKA O14965 2/20 0.54
KCNH2 Q12809 1/20 0.54
TLK2 Q86UE8 3/20 0.52
PRKAA1 Q13131 5/20 0.49
CSF1R P07333 4/20 0.49
PRKAA2 P54646 4/20 0.49
RIOK2 Q9BVS4 2/20 0.49
TLK1 Q9UKI8 2/20 0.49
NTRK2 Q16620 2/20 0.49
NTRK1 P04629 2/20 0.49
LRRK2 Q5S007 2/20 0.49
AURKC Q9UQB9 2/20 0.49

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
SCHEMBL10091937 1.00 KDR (0.61) KDRPDGFRBFGFR1AURKBFLT3
SCHEMBL10091927 0.92 KDR (0.59) KDRPDGFRBFGFR1AURKBFLT3
SCHEMBL396168 0.92 KDR (0.59) KDRPDGFRBFGFR1AURKBFLT3
SCHEMBL10091935 0.87 AKT2 (0.60) KDRPDGFRBFGFR1AURKBFLT3
SCHEMBL396734 0.87 AKT2 (0.60) KDRPDGFRBFGFR1AURKBFLT3
SCHEMBL395647 0.84 FLT3 (0.62) KDRPDGFRBAURKBFLT3MET
SCHEMBL395648 0.84 FLT3 (0.62) KDRPDGFRBAURKBFLT3MET
SCHEMBL393105 0.84 FLT3 (0.59) KDRPDGFRBFGFR1AURKBFLT3
SCHEMBL393104 0.84 FLT3 (0.59) KDRPDGFRBFGFR1AURKBFLT3
SCHEMBL10091926 0.83 KDR (0.59) KDRPDGFRBFGFR1AURKBFLT3

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