SCHEMBL6013085

SCHEMBL6013085

Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OC(CN4CCOCC4)N4CCOCC4)c4[nH]nc(N)c34)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.74
FLT3 P36888 17/20 0.74
KIT P10721 16/20 0.74
CSF1R P07333 5/20 0.55
NTRK3 Q16288 4/20 0.55
AURKB Q96GD4 4/20 0.55
FLT1 P17948 4/20 0.55
FLT4 P35916 3/20 0.55
RET P07949 3/20 0.55
NTRK2 Q16620 3/20 0.55
ALK Q9UM73 3/20 0.55
PLK4 O00444 2/20 0.55
AURKA O14965 2/20 0.55
ROCK2 O75116 2/20 0.55
RPS6KA5 O75582 2/20 0.55
RPS6KA4 O75676 2/20 0.55
PRKD3 O94806 2/20 0.55
MAP4K4 O95819 2/20 0.55
FES P07332 2/20 0.55
FGFR1 P11362 2/20 0.55

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
SCHEMBL6013195 0.92 KDR (0.73) KDRFLT3KITCSF1RNTRK3
SCHEMBL6012613 0.92 KDR (0.61) KDRFLT3KITCSF1RNTRK3
SCHEMBL6013316 0.92 KDR (0.62) KDRFLT3KITCSF1RNTRK3
SCHEMBL6013091 0.91 KDR (0.62) KDRFLT3KITCSF1RNTRK3
SCHEMBL6013282 0.89 KDR (0.61) KDRFLT3KITCSF1RNTRK3
SCHEMBL419830 0.85 KDR (1.00) KDRFLT3KITCSF1RNTRK3
SCHEMBL422699 0.85 KDR (0.93) KDRFLT3KITCSF1RNTRK3
SCHEMBL419188 0.83 KDR (1.00) KDRFLT3KITCSF1RNTRK3
SCHEMBL6013283 0.80 KDR (0.44) KDRFLT3KITCSF1RNTRK3
SCHEMBL421006 0.80 KDR (1.00) KDRFLT3KITCSF1RNTRK3

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