SCHEMBL16168720

SCHEMBL16168720

C=C(NCc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1)c1csc(-c2cccnc2)n1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.88

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
SCHEMBL10022460 0.94 ROCK2 (1.00) ROCK2
SCHEMBL10022468 0.87 ROCK2 (1.00) ROCK2
SCHEMBL10022450 0.85 ROCK2 (1.00) ROCK2
SCHEMBL10022685 0.84 ROCK2 (0.86) ROCK2
SCHEMBL10022548 0.83 ROCK2 (1.00) ROCK2
SCHEMBL10069853 0.80 ROCK2 (1.00) ROCK2
SCHEMBL10022502 0.79 ROCK2 (1.00) ROCK2
SCHEMBL10022549 0.78 ROCK2 (1.00) ROCK2
SCHEMBL10022475 0.78 ROCK2 (1.00) ROCK2
SCHEMBL10022504 0.78 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
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 — — EP disclosed
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