SCHEMBL22227633

SCHEMBL22227633

COc1cc(F)cc(Cn2ccn(-c3ccc(-c4cn[nH]c4)c(C)n3)c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.55

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
SCHEMBL19759793 0.91 ROCK2 (0.55) ROCK2
SCHEMBL19759581 0.90 ROCK2 (0.58) ROCK2
SCHEMBL19759593 0.88 ROCK2 (0.59) ROCK2
SCHEMBL19759697 0.85 ROCK2 (0.57) ROCK2
SCHEMBL19759684 0.83 ROCK2 (0.70) ROCK2
SCHEMBL19759775 0.82 ROCK2 (0.74) ROCK2
SCHEMBL19759689 0.82 ROCK2 (0.67) ROCK2
SCHEMBL19759725 0.81 ROCK2 (0.51) ROCK2
SCHEMBL19759586 0.81 ROCK2 (0.66) ROCK2
SCHEMBL19759591 0.80 ROCK2 (0.51) 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
EP-3242873-B1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-07-22 EP disclosed