SCHEMBL25969140

SCHEMBL25969140

C[C@@H](N)C1CCC(n2cc(NC(=O)OC(C)(C)C)c(C(F)F)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.34
ROCK2 O75116 5/20 0.34
ROCK1 Q13464 5/20 0.34
PKN2 Q16513 4/20 0.34
RPS6KA5 O75582 3/20 0.34
LRRK2 Q5S007 3/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
PRKD3 O94806 2/20 0.34
CDK1 P06493 2/20 0.34
CDK2 P24941 2/20 0.34
LTK P29376 2/20 0.34
CDK8 P49336 2/20 0.34
PRKX P51817 2/20 0.34
PRKCQ Q04759 2/20 0.34
PRKCD Q05655 2/20 0.34
STK3 Q13188 2/20 0.34
CDC42BPA Q5VT25 2/20 0.34
BRSK1 Q8TDC3 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34

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
SCHEMBL25338181 1.00 AAK1 (0.34) AAK1ROCK2ROCK1PKN2RPS6KA5
SCHEMBL25969171 1.00 AAK1 (0.34) AAK1ROCK2ROCK1PKN2RPS6KA5
SCHEMBL25969167 0.92 GFER (0.33) AAK1IRAK4PIK3CDABL1EGFR
SCHEMBL25339977 0.92 GFER (0.33) AAK1IRAK4PIK3CDABL1EGFR
SCHEMBL23744953 0.87 OPRM1 (0.39) IRAK4RORC
SCHEMBL25339817 0.86 GFER (0.33) IRAK4GFERRORC
SCHEMBL25969170 0.86 GFER (0.33) IRAK4GFERRORC
SCHEMBL21997531 0.85 IRAK4 (0.39) AAK1LRRK2IRAK4GFERRORC
SCHEMBL21996690 0.85 GFER (0.33) IRAK4GFERRORC
SCHEMBL23744955 0.85 IRAK4 (0.39) AAK1LRRK2IRAK4GFERRORC

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-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed