SCHEMBL20784173

SCHEMBL20784173

CC(C)C1CN(c2nccc(Nc3ccc(N)c(C=N)c3)n2)CCCN1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.65
ROCK1 Q13464 16/20 0.65

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
SCHEMBL20783917 0.89 ROCK2 (0.63) ROCK2ROCK1
SCHEMBL20774709 0.79 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20774601 0.79 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20783998 0.77 ROCK2 (0.46) ROCK2ROCK1
SCHEMBL20774820 0.73 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL21573654 0.70 ROCK2 (0.60) ROCK2ROCK1
SCHEMBL21573532 0.70 ROCK2 (0.60) ROCK2ROCK1
SCHEMBL21573645 0.70 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL21573606 0.70 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL24464181 0.67 GALR2 (0.44) 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-2019045824-A1 INHIBITORS OF RHO ASSOCIATED COILED-COIL CONTAINING PROTEIN KINASE KADMON CORPORATION, LLC (US) 2019-03-07 WO disclosed