SCHEMBL1384538

SCHEMBL1384538

Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)cccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.71
FLT3 P36888 14/20 0.71
KIT P10721 13/20 0.68
CSF1R P07333 7/20 0.68
FLT1 P17948 7/20 0.68
FLT4 P35916 7/20 0.68
LCK P06239 6/20 0.68
LYN P07948 6/20 0.68
BLK P51451 6/20 0.68
AURKB Q96GD4 4/20 0.68
SRC P12931 3/20 0.68
DYRK3 O43781 3/20 0.68
ROCK2 O75116 3/20 0.68
MAP4K4 O95819 3/20 0.68
RET P07949 3/20 0.68
MET P08581 3/20 0.68
FGFR1 P11362 3/20 0.68
RPS6KB1 P23443 3/20 0.68
EPHA2 P29317 3/20 0.68
FRK P42685 3/20 0.68

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
SCHEMBL424307 0.92 KIT (0.81) KDRFLT3KITCSF1RFLT1
SCHEMBL422432 0.88 KDR (0.82) KDRFLT3KITCSF1RFLT1
SCHEMBL424772 0.87 KDR (0.84) KDRFLT3KITCSF1RFLT1
SCHEMBL425683 0.84 KDR (0.79) KDRFLT3KITCSF1RFLT1
SCHEMBL423300 0.83 KDR (1.00) KDRFLT3KITCSF1RFLT1
SCHEMBL420484 0.83 KDR (0.74) KDRFLT3KITCSF1RFLT1
SCHEMBL421021 0.82 KDR (0.80) KDRFLT3KITCSF1RFLT1
SCHEMBL422705 0.82 KDR (0.79) KDRFLT3KITCSF1RFLT1
SCHEMBL1703583 0.81 KIT (1.00) KDRFLT3KITCSF1RFLT1
SCHEMBL419771 0.81 KDR (1.00) KDRFLT3KITCSF1RFLT1

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