SCHEMBL24464157

SCHEMBL24464157

CC(C)NC(=O)COc1cccc(-c2nccc(Nc3ccc(N)c(C=N)c3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.66
▸ ROCK1 Q13464 10/20 0.55
▸ CLK2 P49760 1/20 0.46
▸ BLK P51451 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ STK3 Q13188 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ STK17A Q9UEE5 1/20 0.46
▸ SLC2A1 P11166 2/20 0.43
▸ SLC2A3 P11169 2/20 0.43

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
SCHEMBL24862286 0.91 ROCK2 (0.67) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL24862663 0.91 ROCK2 (0.64) ROCK2ROCK1DYRK1ACLK4
SCHEMBL24464184 0.90 ROCK2 (0.53) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL24862273 0.89 ROCK2 (0.55) ROCK2ROCK1DYRK1ACLK4
SCHEMBL24862384 0.89 ROCK2 (0.53) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL17038101 0.87 ROCK2 (0.68) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL24862668 0.87 ROCK2 (0.56) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL24353607 0.87 ROCK2 (0.67) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL24862354 0.86 ROCK2 (0.69) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL24862408 0.86 ROCK2 (0.58) ROCK2ROCK1CLK2BLKCSNK2A1

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-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 — — EP disclosed
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