SCHEMBL19644097

SCHEMBL19644097

CCc1cc(-n2nc(-c3nn(-c4ccc(-c5cn[nH]c5)c(CC)c4)c(=O)n3Cc3cccc(F)c3)n(Cc3ccccc3)c2=O)ccc1-c1cn[nH]c1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.84

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
SCHEMBL19643745 0.91 ROCK2 (1.00) ROCK2
SCHEMBL20985848 0.86 ROCK2 (1.00) ROCK2
SCHEMBL19644094 0.85 ROCK2 (0.95) ROCK2
SCHEMBL19643813 0.83 ROCK2 (1.00) ROCK2
SCHEMBL19643139 0.83 ROCK2 (1.00) ROCK2
SCHEMBL20985757 0.82 ROCK2 (1.00) ROCK2
SCHEMBL19643182 0.80 ROCK2 (1.00) ROCK2
SCHEMBL19643879 0.80 ROCK2 (0.85) ROCK2
SCHEMBL19643997 0.79 ROCK2 (1.00) ROCK2
SCHEMBL19643174 0.79 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