SCHEMBL23501281

SCHEMBL23501281

Cc1ccc([C@@H](CN)C(=O)Nc2cc3ccncc3s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.64
ROCK1 Q13464 5/20 0.49
MYLK4 Q86YV6 1/20 0.49

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
SCHEMBL30744160 1.00 ROCK2 (0.64) ROCK2ROCK1MYLK4
SCHEMBL30744201 1.00 ROCK2 (0.64) ROCK2ROCK1MYLK4
SCHEMBL23501283 1.00 ROCK2 (0.64) ROCK2ROCK1MYLK4
SCHEMBL23501464 0.90 ROCK2 (0.63) ROCK2ROCK1MYLK4
SCHEMBL30744158 0.90 ROCK2 (0.63) ROCK2ROCK1MYLK4
SCHEMBL30003472 0.89 ROCK2 (0.53) ROCK2ROCK1MYLK4
SCHEMBL23927570 0.89 ROCK2 (0.51) ROCK2ROCK1MYLK4
SCHEMBL30744213 0.89 ROCK2 (0.51) ROCK2ROCK1MYLK4
SCHEMBL23501332 0.89 ROCK2 (0.51) ROCK2ROCK1MYLK4
SCHEMBL23501342 0.88 ROCK2 (0.51) ROCK2ROCK1MYLK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979675-B Small molecular sulfur-containing heterocyclic compound 维眸生物科技(上海)有限公司 2023-12-19 CN disclosed
CN-112979675-A Small-molecule sulfur-containing heterocyclic compound 维眸生物科技(上海)有限公司 2021-06-18 CN disclosed
WO-2021115495-A1 SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND 维眸生物科技(上海)有限公司 2021-06-17 WO disclosed
WO-2021115495-A1 SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND 维眸生物科技(上海)有限公司 2021-06-17 WO disclosed