SCHEMBL1647773

SCHEMBL1647773

COc1cccc(CN(CCCN2CCN(C)CC2)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.84
ROCK1 Q13464 17/20 0.84

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
SCHEMBL1648513 0.91 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL1648748 0.89 ROCK2 (0.83) ROCK2ROCK1
SCHEMBL1647889 0.88 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL1649563 0.86 ROCK2 (0.80) ROCK2ROCK1
SCHEMBL1648780 0.86 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL1649783 0.85 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL12779182 0.83 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL12779346 0.83 ROCK2 (0.80) ROCK2ROCK1
SCHEMBL1648507 0.82 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL1647891 0.81 ROCK2 (1.00) 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 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