SCHEMBL21747768

SCHEMBL21747768

O=c1n(-c2ccc(-c3c[nH]cn3)cc2)nc(CO)n1Cc1cc(F)cc(F)c1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.71

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
SCHEMBL19643212 0.83 ROCK2 (1.00) ROCK2
SCHEMBL21747770 0.81 ROCK2 (0.76) ROCK2
SCHEMBL21747771 0.77 ROCK2 (0.76) ROCK2
SCHEMBL19644043 0.76 ROCK2 (0.88) ROCK2
SCHEMBL19643845 0.69 ROCK2 (1.00) ROCK2
SCHEMBL19643228 0.69 ROCK2 (1.00) ROCK2
SCHEMBL19643219 0.68 ROCK2 (1.00) ROCK2
SCHEMBL19643531 0.68 ROCK2 (1.00) ROCK2
SCHEMBL19643535 0.68 ROCK2 (1.00) ROCK2
SCHEMBL19643903 0.67 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464262-B1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed