SCHEMBL1386026

SCHEMBL1386026

CCN(CC)CCOc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c([AsH2])n[nH]c12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.82
KIT P10721 14/20 0.82
FLT3 P36888 14/20 0.82
PDGFRA P16234 4/20 0.50
PDGFRB P09619 4/20 0.50
FLT1 P17948 3/20 0.50
FLT4 P35916 2/20 0.50
CSF1R P07333 3/20 0.49
NTRK3 Q16288 3/20 0.49
AURKB Q96GD4 3/20 0.49
CDK8 P49336 2/20 0.49
RET P07949 2/20 0.49
NTRK2 Q16620 2/20 0.49
ALK Q9UM73 2/20 0.49
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
DYRK3 O43781 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
RPS6KA4 O75676 1/20 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
SCHEMBL420378 0.90 KDR (1.00) KDRKITFLT3PDGFRAPDGFRB
SCHEMBL421205 0.83 KDR (1.00) KDRKITFLT3PDGFRAPDGFRB
SCHEMBL422725 0.82 KDR (0.92) KDRKITFLT3PDGFRAPDGFRB
SCHEMBL420912 0.81 KDR (0.84) KDRKITFLT3PDGFRAPDGFRB
SCHEMBL421024 0.81 KDR (0.84) KDRKITFLT3PDGFRAPDGFRB
SCHEMBL422667 0.81 KDR (0.84) KDRKITFLT3PDGFRAPDGFRB
SCHEMBL425283 0.81 KDR (0.84) KDRKITFLT3PDGFRAPDGFRB
SCHEMBL420386 0.79 KDR (0.80) KDRKITFLT3PDGFRAPDGFRB
SCHEMBL232934 0.79 KDR (1.00) KDRKITFLT3PDGFRAPDGFRB
SCHEMBL421536 0.78 KDR (0.78) KDRKITFLT3PDGFRAPDGFRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4810427-B2 2011-11-09 JP claimed
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP claimed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO claimed