SCHEMBL24920529

SCHEMBL24920529

COCc1ccnc(N2CC(COC)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.35
RXRA P19793 7/20 0.35
GRIN1 Q05586 7/20 0.35
GRIN2B Q13224 7/20 0.35
CHRM4 P08173 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CDK8 P49336 2/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
SCN9A Q15858 1/20 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
SCHEMBL24920547 0.87 AOC3 (0.38) AOC3RXRAGRIN1GRIN2BPDE10A
SCHEMBL20745928 0.87 NR1H2 (0.39) AOC3MAP4K4EGFRCHRM4PDE10A
SCHEMBL20745925 0.86 AOC3 (0.35) AOC3MAP4K4EGFRCHRM4PDE10A
SCHEMBL24921022 0.85 AOC3 (0.38) AOC3RXRAGRIN1GRIN2B
SCHEMBL24921790 0.84 AOC3 (0.39) AOC3RXRAGRIN1GRIN2B
SCHEMBL24921046 0.81 AOC3 (0.38) AOC3EGFRRXRAGRIN1GRIN2B
SCHEMBL24920527 0.80 ACACB (0.44) AOC3PDE10ARBP4TTR
SCHEMBL24920546 0.80 AOC3 (0.37) AOC3EGFRRXRAGRIN1GRIN2B
SCHEMBL24921040 0.79 AOC3 (0.44) AOC3RXRAGRIN1GRIN2BPDE10A
SCHEMBL24921023 0.79 AOC3 (0.44) AOC3RXRAGRIN1GRIN2B

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed