SCHEMBL27636366

SCHEMBL27636366

NC(=O)N(c1ccc(-c2ccc(-c3ccsc3)c3[nH]nc(N)c23)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.44
KIT P10721 7/20 0.44
FLT3 P36888 7/20 0.44
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 2/20 0.42
BTK Q06187 1/20 0.39
FYN P06241 3/20 0.39
CSF1R P07333 3/20 0.39
FLT1 P17948 3/20 0.39
LCK P06239 2/20 0.39
LYN P07948 2/20 0.39
FLT4 P35916 2/20 0.39
BLK P51451 2/20 0.39
SRC P12931 1/20 0.39
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
IDH2 P48735 3/20 0.37
PLK4 O00444 1/20 0.36

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
SCHEMBL27636405 0.90 KDR (0.47) KDRKITFLT3AURKAAURKB
SCHEMBL27657323 0.87 KDR (0.45) KDRKITFLT3AURKAAURKB
SCHEMBL27657341 0.86 KDR (0.54) KDRKITFLT3AURKAAURKB
SCHEMBL27636403 0.86 KDR (0.48) KDRKITFLT3AURKAAURKB
SCHEMBL4784983 0.83 KDR (0.62) KDRKITFLT3ABL1BCR
SCHEMBL27636396 0.81 AURKA (0.47) KDRKITFLT3AURKAAURKB
SCHEMBL420550 0.80 KDR (0.70) KDRKITFLT3AURKAAURKB
SCHEMBL424601 0.80 KDR (0.56) KDRKITFLT3AURKAAURKB
SCHEMBL27636553 0.79 AURKA (0.47) KDRKITFLT3AURKAAURKB
SCHEMBL27640521 0.79 KDR (0.53) KDRKITFLT3AURKAAURKB

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
CN-1826324-B indazole, Benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2011-12-07 CN claimed
CN-1826324-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2006-08-30 CN claimed
CN-101827584-A Solid dispersion product of N-aryl ureido drugs ABBOTT GMBH & CO KG 2010-09-08 CN disclosed