SCHEMBL30611362

SCHEMBL30611362

Cc1cnc(N2CCNC(C)CC2)nc1Nc1ccc2[nH]ncc2c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.75
▸ ROCK1 Q13464 11/20 0.61

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
SCHEMBL20774784 1.00 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL20774690 0.91 ROCK2 (0.89) ROCK2ROCK1
SCHEMBL30611365 0.91 ROCK2 (0.89) ROCK2ROCK1
SCHEMBL20774892 0.90 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL30611396 0.90 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL20774749 0.90 ROCK2 (0.77) ROCK2ROCK1
Ammonia Solution, Strong SCHEMBL22126154 0.90 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL30611467 0.90 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL20783999 0.89 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL20774801 0.89 ROCK2 (0.65) 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
Send feedback