SCHEMBL19644094

SCHEMBL19644094

CCc1cc(-n2ncn(Cc3cccc(F)c3)c2=O)ccc1-c1cn[nH]c1.CCc1cc(-n2ncn(Cc3ccccc3)c2=O)ccc1-c1cn[nH]c1

nearest known ligand 0.95

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.95

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
SCHEMBL20985757 0.97 ROCK2 (1.00) ROCK2
SCHEMBL20985770 0.93 ROCK2 (1.00) ROCK2
SCHEMBL19643148 0.89 ROCK2 (1.00) ROCK2
SCHEMBL19643100 0.89 ROCK2 (1.00) ROCK2
SCHEMBL19643993 0.86 ROCK2 (1.00) ROCK2
SCHEMBL19643196 0.86 ROCK2 (0.85) ROCK2
SCHEMBL19644097 0.85 ROCK2 (0.84) ROCK2
SCHEMBL19643606 0.85 ROCK2 (1.00) ROCK2
SCHEMBL19643215 0.85 ROCK2 (1.00) ROCK2
SCHEMBL21025327 0.85 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
EP-3464262-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2019-04-10 EP disclosed
WO-2017205709-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-30 WO disclosed