SCHEMBL4299760

SCHEMBL4299760

OC(Cc1ccccc1)Nc1nc2ccc(-c3ccncc3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.66
PRKCG P05129 2/20 0.66
PRKACA P17612 2/20 0.66
RPS6KB1 P23443 2/20 0.66
AKT1 P31749 2/20 0.66
CSNK1D P48730 2/20 0.66
CLK2 P49760 2/20 0.66
IRAK1 P51617 2/20 0.66
PRKX P51817 2/20 0.66
NEK4 P51957 2/20 0.66
PRKCD Q05655 2/20 0.66
ROCK1 Q13464 2/20 0.66
DYRK1A Q13627 2/20 0.66
PKN2 Q16513 2/20 0.66
HIPK4 Q8NE63 2/20 0.66
AURKB Q96GD4 2/20 0.66
CLK4 Q9HAZ1 2/20 0.66
MKNK2 Q9HBH9 2/20 0.66
SGK2 Q9HBY8 2/20 0.66
CSNK1G1 Q9HCP0 2/20 0.66

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
SCHEMBL4286537 0.80 CLK4 (1.00) MAP4K4PRKCGPRKACARPS6KB1AKT1
SCHEMBL4292230 0.80 ROCK1 (0.84) MAP4K4PRKCGPRKACARPS6KB1AKT1
SCHEMBL4282293 0.80 ROCK1 (0.84) MAP4K4PRKCGPRKACARPS6KB1AKT1
SCHEMBL4286997 0.80 ROCK1 (0.84) MAP4K4PRKCGPRKACARPS6KB1AKT1
SCHEMBL4291559 0.78 ROCK1 (1.00) MAP4K4PRKCGPRKACARPS6KB1AKT1
SCHEMBL4283685 0.78 MAP4K4 (0.78) MAP4K4PRKCGPRKACARPS6KB1AKT1
SCHEMBL4286942 0.78 MAP4K4 (0.67) MAP4K4PRKCGPRKACARPS6KB1AKT1
SCHEMBL4284779 0.78 MAP4K4 (0.67) MAP4K4PRKCGPRKACARPS6KB1AKT1
SCHEMBL4280390 0.77 MAP4K4 (0.66) MAP4K4PRKCGPRKACARPS6KB1AKT1
SCHEMBL4280545 0.77 ROCK1 (0.77) MAP4K4PRKCGPRKACARPS6KB1AKT1

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
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 WO disclosed