SCHEMBL10066564

SCHEMBL10066564

N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)C4CSC(c5ccncc5)=N4)c3)sc2C1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.72

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
SCHEMBL10066170 0.89 ROCK2 (0.74) ROCK2
SCHEMBL10022478 0.84 ROCK2 (1.00) ROCK2
SCHEMBL10022480 0.84 ROCK2 (1.00) ROCK2
SCHEMBL10066192 0.79 ROCK2 (0.74) ROCK2
SCHEMBL10022488 0.79 ROCK2 (1.00) ROCK2
SCHEMBL10022486 0.79 ROCK2 (1.00) ROCK2
SCHEMBL10066176 0.77 MAPT (0.46) ROCK2
SCHEMBL16168731 0.76 ROCK2 (0.68) ROCK2
SCHEMBL10022471 0.76 ROCK2 (1.00) ROCK2
SCHEMBL10022470 0.76 ROCK2 (1.00) ROCK2

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-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 — — WO disclosed
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