SCHEMBL30611441

SCHEMBL30611441

CC1CN(c2ncc(F)c(Nc3ccc4[nH]ncc4c3)n2)CCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 1.00
▸ ROCK1 Q13464 8/20 0.74

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
SCHEMBL20774595 1.00 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL30611433 0.94 ROCK2 (0.89) ROCK2ROCK1
SCHEMBL20774589 0.94 ROCK2 (0.89) ROCK2ROCK1
SCHEMBL20774602 0.90 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL30533147 0.90 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20775988 0.89 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL30611385 0.89 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL22126184 0.89 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL20774719 0.89 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL30611514 0.89 ROCK2 (0.81) 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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