SCHEMBL28795206

SCHEMBL28795206

COc1cc(N2CCC(N3CCN(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.54
▸ DDB1 Q16531 11/20 0.49
▸ AR P10275 3/20 0.45
▸ GSPT1 P15170 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL28795191 0.99 CRBN (0.53) CRBNDDB1ARCDK9
SCHEMBL28795252 0.96 CRBN (0.49) CRBNDDB1ARGSPT1
SCHEMBL28795193 0.96 CRBN (0.49) CRBNDDB1ARCDK9
SCHEMBL29803014 0.95 CRBN (0.50) CRBNDDB1ARGSPT1CDK9
SCHEMBL28795334 0.95 CRBN (0.50) CRBNDDB1ARGSPT1CDK9
SCHEMBL28795245 0.94 CRBN (0.47) CRBNDDB1ARCDK9
SCHEMBL28795207 0.93 CRBN (0.47) CRBNDDB1ARCDK9
SCHEMBL28795192 0.92 CDK9 (0.49) CRBNDDB1ARCDK9
SCHEMBL28795316 0.91 PLK4 (0.45) CRBNDDB1ARCDK9
SCHEMBL28945672 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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