SCHEMBL28795191

SCHEMBL28795191

COc1cc(N2CCC(N3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.53
▸ DDB1 Q16531 9/20 0.48
▸ AR P10275 3/20 0.46
▸ CDK9 P50750 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40
▸ HPGDS O60760 2/20 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
SCHEMBL28795206 0.99 CRBN (0.54) CRBNDDB1ARCDK9
SCHEMBL28795252 0.96 CRBN (0.49) CRBNDDB1AR
SCHEMBL28795193 0.95 CRBN (0.49) CRBNDDB1ARCDK9
SCHEMBL29803014 0.94 CRBN (0.50) CRBNDDB1ARCDK9BRD9
SCHEMBL28795334 0.94 CRBN (0.50) CRBNDDB1ARCDK9BRD9
SCHEMBL28795207 0.94 CRBN (0.47) CRBNDDB1ARCDK9BRD9
SCHEMBL28795245 0.93 CRBN (0.47) CRBNDDB1ARCDK9BRD9
SCHEMBL28795192 0.93 CDK9 (0.49) CRBNDDB1ARCDK9BRD9
SCHEMBL28795316 0.91 PLK4 (0.45) CRBNDDB1ARCDK9
SCHEMBL29803123 0.90 CRBN (0.46) CRBNDDB1AR

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
CN-114805303-A Molecule with double functions of degrading EGFR (epidermal growth factor receptor), composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-07-29 — — CN disclosed
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