SCHEMBL30611487

SCHEMBL30611487

CCC1CN(c2ncc(C)c(Nc3ccc4[nH]ncc4c3)n2)CCCN1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.80
▸ ROCK1 Q13464 13/20 0.74
▸ WEE1 P30291 1/20 0.53
▸ ALK Q9UM73 1/20 0.53

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
SCHEMBL20784002 1.00 ROCK2 (0.80) ROCK2ROCK1WEE1ALK
SCHEMBL20774775 0.95 ROCK2 (0.73) ROCK2ROCK1WEE1ALK
SCHEMBL30611370 0.90 ROCK2 (0.73) ROCK2ROCK1WEE1ALK
SCHEMBL22126184 0.90 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL20774822 0.90 ROCK2 (0.73) ROCK2ROCK1WEE1ALK
SCHEMBL30533147 0.89 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20774602 0.89 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20774611 0.88 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL20783999 0.87 ROCK2 (0.73) ROCK2ROCK1WEE1ALK
SCHEMBL20774733 0.86 ROCK2 (0.80) 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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