SCHEMBL396734

SCHEMBL396734

Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)NC(=O)C4=Cc3cc(C(=O)NCCN4CCOCC4)c[nH]3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.60
PDPK1 O15530 2/20 0.51
ABL1 P00519 1/20 0.46
NTRK1 P04629 2/20 0.46
NTRK2 Q16620 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAF1 P04049 1/20 0.44
CHEK1 O14757 2/20 0.44
EPHX2 P34913 1/20 0.44
NTRK3 Q16288 1/20 0.44
KDR P35968 3/20 0.44
PDGFRB P09619 2/20 0.44
FGFR1 P11362 1/20 0.44
PIM1 P11309 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.43
PAK1 Q13153 1/20 0.43
MET P08581 1/20 0.43
FLT3 P36888 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
SCHEMBL10091935 1.00 AKT2 (0.60) AKT2PDPK1ABL1NTRK1NTRK2
SCHEMBL398656 0.90 AKT2 (0.53) AKT2PDPK1NTRK1NTRK2CHEK1
SCHEMBL10091934 0.90 AKT2 (0.53) AKT2PDPK1NTRK1NTRK2CHEK1
SCHEMBL10091937 0.87 KDR (0.61) PDPK1ABL1NTRK1NTRK2CHEK1
SCHEMBL395024 0.87 KDR (0.61) PDPK1ABL1NTRK1NTRK2CHEK1
SCHEMBL396456 0.85 AKT2 (0.52) AKT2PDPK1NTRK1NTRK2CYP2C9
SCHEMBL10091933 0.85 AKT2 (0.52) AKT2PDPK1NTRK1NTRK2CYP2C9
SCHEMBL398702 0.84 KDR (0.53) AKT2NTRK1NTRK2CYP2C9CYP2C19
SCHEMBL398703 0.84 KDR (0.53) AKT2NTRK1NTRK2CYP2C9CYP2C19
SCHEMBL396921 0.84 NTRK2 (0.52) AKT2NTRK1NTRK2CYP2C9CYP2C19

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