SCHEMBL3423199

SCHEMBL3423199

CCN(CC)C(C)(N(CC)CC)n1nc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)cccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.73
FLT3 P36888 13/20 0.73
KIT P10721 10/20 0.73
CSF1R P07333 5/20 0.73
FLT1 P17948 5/20 0.73
FLT4 P35916 4/20 0.73
LCK P06239 3/20 0.73
AURKA O14965 3/20 0.59
LYN P07948 3/20 0.59
BLK P51451 3/20 0.59
AURKB Q96GD4 3/20 0.59
MAPK13 O15264 2/20 0.59
DYRK3 O43781 2/20 0.59
ROCK2 O75116 2/20 0.59
RPS6KA5 O75582 2/20 0.59
RET P07949 2/20 0.59
MET P08581 2/20 0.59
FGFR1 P11362 2/20 0.59
RPS6KB1 P23443 2/20 0.59
EPHA2 P29317 2/20 0.59

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
SCHEMBL419771 0.84 KDR (1.00) KDRFLT3KITCSF1RFLT1
SCHEMBL24799848 0.84 KDR (0.81) KDRFLT3KITCSF1RFLT1
SCHEMBL422047 0.82 KDR (0.81) KDRFLT3KITCSF1RFLT1
SCHEMBL423660 0.82 KDR (0.81) KDRFLT3KITCSF1RFLT1
SCHEMBL21386469 0.81 KDR (0.79) KDRFLT3KITCSF1RFLT1
SCHEMBL419859 0.80 KDR (0.79) KDRFLT3KITCSF1RFLT1
SCHEMBL421208 0.79 KDR (1.00) KDRFLT3KITCSF1RFLT1
SCHEMBL13523212 0.77 KDR (0.82) KDRFLT3KITCSF1RFLT1
SCHEMBL21668631 0.77 KDR (0.72) KDRFLT3KITCSF1RFLT1
SCHEMBL28428802 0.77 KDR (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246333-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors Abbott Laboratories (US) 2010-11-03 EP disclosed