SCHEMBL10066192

SCHEMBL10066192

O=C(Nc1nc2c(s1)C[C@@H](N1CCOCC1)CC2)c1cccc(CNC(=O)C2CSC(c3cccnc3)=N2)c1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.74

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
SCHEMBL10022582 0.85 ROCK2 (1.00) ROCK2
SCHEMBL10022608 0.81 ROCK2 (0.82) ROCK2
SCHEMBL10066400 0.81 ROCK2 (0.71) ROCK2
SCHEMBL10022600 0.80 ROCK2 (1.00) ROCK2
SCHEMBL10066564 0.79 ROCK2 (0.72) ROCK2
SCHEMBL10022614 0.79 ROCK2 (1.00) ROCK2
SCHEMBL10022595 0.79 ROCK2 (1.00) ROCK2
SCHEMBL323851 0.78 ROCK2 (0.71) ROCK2
SCHEMBL323850 0.78 ROCK2 (0.71) ROCK2
SCHEMBL324947 0.78 ROCK2 (0.68) 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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