SCHEMBL24675876

SCHEMBL24675876

C[C@@H](NC(=O)OC(C)(C)C)c1cccc(OCCCC=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.44
ROCK2 O75116 1/20 0.44
DYRK3 O43781 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
AKT2 P31751 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44
PRKX P51817 1/20 0.44
CDK5 Q00535 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKG2 Q13237 1/20 0.44
PRKG1 Q13976 1/20 0.44
PKN2 Q16513 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
SGK2 Q9HBY8 1/20 0.44

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
SCHEMBL24675874 1.00 ROCK1 (0.44) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24675827 0.87 ROCK1 (0.46) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24675824 0.87 ROCK1 (0.46) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24675673 0.87 CTSK (0.43) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24675852 0.87 ROCK1 (0.41) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24675230 0.86 ROCK1 (0.45) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24675663 0.86 ROCK1 (0.49) ROCK1ROCK2DYRK3PRKACARPS6KB1
SCHEMBL24675892 0.86 ACACB (0.49) CTSKACACBACACASMN1; SMN2ALDH1A1
SCHEMBL24675658 0.86 ACACB (0.49) CTSKACACBACACASMN1; SMN2ALDH1A1
SCHEMBL25439145 0.86 ROCK1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022159688-A9 DEGRADERS OF GRK2 AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed