SCHEMBL4304983

SCHEMBL4304983

Fc1cccc(CCNc2nc3ccc(-c4ccncc4)cc3s2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.64
CLK4 Q9HAZ1 3/20 0.64
PRKCG P05129 2/20 0.64
PRKACA P17612 2/20 0.64
RPS6KB1 P23443 2/20 0.64
AKT1 P31749 2/20 0.64
CSNK1D P48730 2/20 0.64
CLK2 P49760 2/20 0.64
IRAK1 P51617 2/20 0.64
PRKX P51817 2/20 0.64
NEK4 P51957 2/20 0.64
PRKCD Q05655 2/20 0.64
ROCK1 Q13464 2/20 0.64
DYRK1A Q13627 2/20 0.64
PKN2 Q16513 2/20 0.64
HIPK4 Q8NE63 2/20 0.64
AURKB Q96GD4 2/20 0.64
MKNK2 Q9HBH9 2/20 0.64
SGK2 Q9HBY8 2/20 0.64
CSNK1G1 Q9HCP0 2/20 0.64

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
SCHEMBL4279159 0.89 ROCK2 (0.77) MAP4K4CLK4PRKCGPRKACARPS6KB1
SCHEMBL4283685 0.88 MAP4K4 (0.78) MAP4K4CLK4PRKCGPRKACARPS6KB1
SCHEMBL4286988 0.81 MAP4K4 (0.74) MAP4K4CLK4PRKCGPRKACARPS6KB1
SCHEMBL4286925 0.80 ROCK2 (0.63) MAP4K4CLK4PRKCGPRKACARPS6KB1
SCHEMBL4278562 0.78 CLK4 (0.60) MAP4K4CLK4PRKCGPRKACARPS6KB1
SCHEMBL4286537 0.78 CLK4 (1.00) MAP4K4CLK4PRKCGPRKACARPS6KB1
SCHEMBL4284211 0.77 MAP4K4 (0.61) MAP4K4CLK4PRKCGPRKACARPS6KB1
SCHEMBL4279157 0.77 CLK4 (0.58) MAP4K4CLK4PRKCGPRKACARPS6KB1
SCHEMBL4291617 0.76 CLK4 (0.57) MAP4K4CLK4PRKCGPRKACARPS6KB1
SCHEMBL4287964 0.76 ROCK2 (0.57) MAP4K4CLK4PRKCGPRKACARPS6KB1

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 claimed