SCHEMBL24833730

SCHEMBL24833730

COc1cc(C(C)C)ccc1C(=O)NC1CCC(=O)NC1=O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 20/20 0.73
DDB1 Q16531 3/20 0.50
IKZF3 Q9UKT9 1/20 0.50
HDAC6 Q9UBN7 1/20 0.47
BRD4 O60885 1/20 0.45

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
SCHEMBL24833727 0.85 CRBN (0.71) CRBNDDB1IKZF3BRD4
SCHEMBL24319680 0.85 CRBN (0.78) CRBNDDB1IKZF3HDAC6
SCHEMBL23594040 0.84 CRBN (0.70) CRBNDDB1IKZF3
SCHEMBL19586301 0.84 CRBN (1.00) CRBNDDB1IKZF3BRD4
SCHEMBL23594041 0.84 CRBN (0.70) CRBNDDB1IKZF3
SCHEMBL23594038 0.84 CRBN (0.70) CRBNDDB1IKZF3
SCHEMBL23594202 0.83 CRBN (0.73) CRBNDDB1IKZF3HDAC6
SCHEMBL26264014 0.82 CRBN (0.61) CRBNDDB1IKZF3
SCHEMBL5740213 0.82 CRBN (0.71) CRBNDDB1IKZF3
SCHEMBL30301972 0.82 CRBN (0.71) CRBNDDB1IKZF3

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-2023274390-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2023-01-05 WO disclosed