SCHEMBL22227642

SCHEMBL22227642

COc1cc(F)cc(CN2C(=O)CN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.66

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
SCHEMBL28478731 0.89 ROCK2 (0.67) ROCK2
SCHEMBL22227654 0.88 ROCK2 (0.64) ROCK2
SCHEMBL22227643 0.88 ROCK2 (0.67) ROCK2
SCHEMBL17913026 0.85 ROCK2 (0.65) ROCK2
SCHEMBL22227641 0.85 ROCK2 (0.65) ROCK2
SCHEMBL22227678 0.83 ROCK2 (0.65) ROCK2
SCHEMBL28485228 0.82 ROCK2 (0.65) ROCK2
SCHEMBL28480626 0.80 ROCK2 (0.63) ROCK2
SCHEMBL19759684 0.80 ROCK2 (0.70) ROCK2
SCHEMBL19644017 0.80 ROCK2 (1.00) 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 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