SCHEMBL6033147

SCHEMBL6033147

CCCN(CCC)[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)cn4)c3)sc2C1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.55

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
SCHEMBL13387435 0.92 ROCK2 (0.55) ROCK2
SCHEMBL2713203 0.92 ROCK2 (0.55) ROCK2
SCHEMBL2711095 0.92 ROCK2 (0.64) ROCK2
SCHEMBL13387283 0.92 ROCK2 (0.64) ROCK2
SCHEMBL2712917 0.91 ROCK2 (0.57) ROCK2
SCHEMBL13387438 0.90 ROCK2 (0.56) ROCK2
SCHEMBL2710810 0.90 ROCK2 (0.56) ROCK2
SCHEMBL2713144 0.89 ROCK2 (0.65) ROCK2
SCHEMBL2712735 0.89 ROCK2 (0.65) ROCK2
SCHEMBL2713609 0.89 ROCK2 (0.65) 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-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — WO disclosed
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