SCHEMBL6013316

SCHEMBL6013316

CCc1cccc(NC(=O)Nc2ccc(-c3ccc(OC(CN4CCOCC4)N4CCOCC4)c4[nH]nc(N)c34)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.62
KIT P10721 17/20 0.62
FLT3 P36888 16/20 0.62
CSF1R P07333 3/20 0.48
NTRK3 Q16288 3/20 0.48
AURKB Q96GD4 3/20 0.48
PDGFRA P16234 3/20 0.48
PDGFRB P09619 1/20 0.48
CDK8 P49336 1/20 0.48
PLK4 O00444 2/20 0.47
AURKA O14965 2/20 0.47
ROCK2 O75116 2/20 0.47
RPS6KA5 O75582 2/20 0.47
RPS6KA4 O75676 2/20 0.47
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
FES P07332 2/20 0.47
RET P07949 2/20 0.47
FGFR1 P11362 2/20 0.47
FLT1 P17948 2/20 0.47

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
SCHEMBL6013085 0.92 KDR (0.74) KDRKITFLT3CSF1RNTRK3
SCHEMBL6012613 0.91 KDR (0.61) KDRKITFLT3CSF1RNTRK3
SCHEMBL6013091 0.90 KDR (0.62) KDRKITFLT3CSF1RNTRK3
SCHEMBL423059 0.86 KDR (0.84) KDRKITFLT3CSF1RNTRK3
SCHEMBL6013282 0.84 KDR (0.61) KDRKITFLT3CSF1RNTRK3
SCHEMBL6013195 0.83 KDR (0.73) KDRKITFLT3CSF1RNTRK3
SCHEMBL420279 0.81 KDR (0.78) KDRKITFLT3CSF1RNTRK3
SCHEMBL6013283 0.79 KDR (0.44) KDRKITFLT3CSF1RNTRK3
SCHEMBL419557 0.78 KDR (0.70) KDRKITFLT3CSF1RNTRK3
SCHEMBL419830 0.77 KDR (1.00) KDRKITFLT3CSF1RNTRK3

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
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO disclosed