SCHEMBL18901197

SCHEMBL18901197

C=C[C@@H](NC(=O)c1ccc2c3ccncc3c(=O)n(CC)c2c1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.77

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
SCHEMBL17783501 0.87 ROCK2 (1.00) ROCK2
SCHEMBL16345037 0.87 ROCK2 (1.00) ROCK2
SCHEMBL17783368 0.79 ROCK2 (0.85) ROCK2
SCHEMBL18901199 0.79 ROCK2 (0.69) ROCK2
SCHEMBL17788682 0.78 ROCK2 (0.83) ROCK2
SCHEMBL17783463 0.78 ROCK2 (1.00) ROCK2
SCHEMBL18901341 0.78 ROCK2 (1.00) ROCK2
SCHEMBL16345038 0.77 ROCK2 (0.67) ROCK2
SCHEMBL17783498 0.76 ROCK2 (1.00) ROCK2
SCHEMBL16346033 0.76 ROCK2 (0.65) 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-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
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