SCHEMBL20783908

SCHEMBL20783908

CCC1CN(c2nccc(Nc3ccc(-c4ccncc4)cc3)n2)CCCCN1

nearest known ligand 0.96

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.96
▸ ROCK1 Q13464 11/20 0.96

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
SCHEMBL20774728 0.98 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20784036 0.86 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20774886 0.85 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL20774709 0.82 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL25630335 0.81 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL20774771 0.80 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20774792 0.79 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20784059 0.77 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL20774897 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL25630333 0.74 ROCK2 (0.78) ROCK2ROCK1

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-2019045824-A1 INHIBITORS OF RHO ASSOCIATED COILED-COIL CONTAINING PROTEIN KINASE KADMON CORPORATION, LLC (US) 2019-03-07 — — WO disclosed
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