SCHEMBL25827038

SCHEMBL25827038

CCOC(=O)COCCOCCCCCCOc1cccc([C@H](C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.40
ROCK2 O75116 1/20 0.40
DYRK3 O43781 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
AKT2 P31751 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
PRKX P51817 1/20 0.40
CDK5 Q00535 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKG2 Q13237 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN2 Q16513 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SGK2 Q9HBY8 1/20 0.40

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
SCHEMBL29822879 1.00 ROCK1 (0.40) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL30490858 1.00 ROCK1 (0.40) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24675715 1.00 ROCK1 (0.40) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL25410186 0.91 ROCK1 (0.41) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL25410190 0.91 ROCK1 (0.41) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24674913 0.90 POLB (0.41) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL29823058 0.89 PFKFB3 (0.45) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24674842 0.87 PPARA (0.46) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL29822969 0.87 PPARA (0.46) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24675472 0.87 ROCK1 (0.41) ROCK1ROCK2DYRK3PRKACARPS6KB1

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
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed