SCHEMBL1647784

SCHEMBL1647784

COc1cccc([C@@H](C)NC(=O)c2cn(CCN3CCCC3)c3cc(-c4cn[nH]c4)ccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 0.62
ROCK2 O75116 18/20 0.62

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
SCHEMBL1649623 1.00 ROCK1 (0.62) ROCK1ROCK2
SCHEMBL1647787 1.00 ROCK1 (0.62) ROCK1ROCK2
SCHEMBL1648103 0.85 ROCK1 (0.79) ROCK1ROCK2
SCHEMBL1648105 0.80 ROCK2 (0.83) ROCK1ROCK2
SCHEMBL1647286 0.77 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL1649568 0.77 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL1649566 0.77 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL1649581 0.77 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL15968074 0.76 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL15967948 0.76 ROCK2 (1.00) ROCK1ROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 WO disclosed
WO-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 WO disclosed