SCHEMBL30611403

SCHEMBL30611403

Cc1nc(N2CCNC(c3ccccc3)CC2)nc(Nc2ccc3[nH]ncc3c2)c1C

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.70
▸ ROCK1 Q13464 6/20 0.60

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
SCHEMBL20774711 1.00 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL30611442 0.88 ROCK2 (0.63) ROCK2ROCK1
SCHEMBL20774807 0.88 ROCK2 (0.63) ROCK2ROCK1
SCHEMBL30611369 0.87 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL20774691 0.87 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL20774716 0.87 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL30611482 0.87 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL20774737 0.85 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL20774676 0.84 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL20774574 0.84 ROCK2 (0.70) 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