SCHEMBL21747771

SCHEMBL21747771

COc1cc(F)cc(Cn2c(C(C)(C)O)nn(-c3ccc(-c4c[nH]cn4)cc3)c2=O)c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.76

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
SCHEMBL19643216 0.86 ROCK2 (1.00) ROCK2
SCHEMBL19643508 0.83 ROCK2 (0.73) ROCK2
SCHEMBL19643540 0.79 ROCK2 (1.00) ROCK2
SCHEMBL21747768 0.77 ROCK2 (0.71) ROCK2
SCHEMBL19644088 0.74 ROCK2 (0.81) ROCK2
SCHEMBL19643690 0.73 ROCK2 (1.00) ROCK2
SCHEMBL19644061 0.73 ROCK2 (0.87) ROCK2
SCHEMBL19644043 0.72 ROCK2 (0.88) ROCK2
SCHEMBL19643947 0.69 ROCK2 (1.00) ROCK2
SCHEMBL19643214 0.69 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