SCHEMBL30611468

SCHEMBL30611468

Cc1cnc(N2CCCNC(c3ccccc3)C2)nc1Nc1ccc2[nH]ncc2c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.78
▸ ROCK1 Q13464 10/20 0.73

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
SCHEMBL20784175 1.00 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL20774578 0.90 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL30611505 0.90 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL30611484 0.90 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL20774625 0.90 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL30611489 0.89 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL20774717 0.89 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL20774716 0.88 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL30611482 0.88 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL20774602 0.88 ROCK2 (1.00) ROCK2ROCK1

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
CN-111587112-B Rho-related inhibitors of coiled-coil-containing protein kinases 卡德门企业有限公司 2023-10-10 — — CN disclosed
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