SCHEMBL30611490

SCHEMBL30611490

Cc1nc(N2CCCNC(C)C2)nc(Nc2ccc3[nH]ncc3c2)c1C

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.77
▸ ROCK1 Q13464 10/20 0.67

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
SCHEMBL20784054 1.00 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL30611506 0.94 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL20774718 0.94 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL20784023 0.89 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL30611472 0.89 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL20774611 0.89 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL30611482 0.88 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL20774716 0.88 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL20774724 0.87 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL20774602 0.87 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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