SCHEMBL6013091

SCHEMBL6013091

Nc1n[nH]c2c(OC(CN3CCOCC3)N3CCOCC3)ccc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.62
FLT3 P36888 18/20 0.62
KIT P10721 18/20 0.62
CSF1R P07333 3/20 0.58
NTRK3 Q16288 3/20 0.58
AURKB Q96GD4 3/20 0.58
PLK4 O00444 2/20 0.58
AURKA O14965 2/20 0.58
ROCK2 O75116 2/20 0.58
RPS6KA5 O75582 2/20 0.58
RPS6KA4 O75676 2/20 0.58
MAP4K4 O95819 2/20 0.58
FES P07332 2/20 0.58
LYN P07948 2/20 0.58
RET P07949 2/20 0.58
FGFR1 P11362 2/20 0.58
FLT1 P17948 2/20 0.58
RPS6KB1 P23443 2/20 0.58
MARK3 P27448 2/20 0.58
EPHA2 P29317 2/20 0.58

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
SCHEMBL6012613 0.92 KDR (0.61) KDRFLT3KITCSF1RNTRK3
SCHEMBL6013085 0.91 KDR (0.74) KDRFLT3KITCSF1RNTRK3
SCHEMBL6013316 0.90 KDR (0.62) KDRFLT3KITCSF1RNTRK3
SCHEMBL422445 0.85 KDR (0.83) KDRFLT3KITCSF1RNTRK3
SCHEMBL421847 0.85 KDR (0.77) KDRFLT3KITCSF1RNTRK3
SCHEMBL6013282 0.83 KDR (0.61) KDRFLT3KITCSF1RNTRK3
SCHEMBL6013195 0.83 KDR (0.73) KDRFLT3KITCSF1RNTRK3
SCHEMBL6013283 0.80 KDR (0.44) KDRFLT3KITCSF1RNTRK3
SCHEMBL422393 0.79 KDR (0.81) KDRFLT3KITCSF1RNTRK3
SCHEMBL421570 0.78 KDR (0.83) 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