SCHEMBL22227632

SCHEMBL22227632

COc1cc(N2C(=O)CN(Cc3cc(F)ccc3F)C2=O)ccc1-c1cn[nH]c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.64
ROCK1 Q13464 1/20 0.51

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
SCHEMBL22227673 0.91 ROCK2 (0.64) ROCK2ROCK1
SCHEMBL22227667 0.87 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL28489997 0.86 ROCK2 (0.62) ROCK2
SCHEMBL22227641 0.84 ROCK2 (0.65) ROCK2
SCHEMBL22227653 0.84 ROCK2 (0.63) ROCK2ROCK1
SCHEMBL28489710 0.83 ROCK2 (0.62) ROCK2
SCHEMBL28485273 0.80 ROCK2 (0.64) ROCK2ROCK1
SCHEMBL28477382 0.78 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL19643211 0.78 ROCK2 (1.00) ROCK2
SCHEMBL17912941 0.78 ROCK2 (0.64) 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
CN-107406426-B Cyclic ureas as ROCK inhibitors 百时美施贵宝公司 2020-11-20 CN claimed
EP-3242873-B1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-07-22 EP disclosed