SCHEMBL28795252

SCHEMBL28795252

COc1cc(N2CCC(N3CCN(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.49
▸ DDB1 Q16531 10/20 0.47
▸ BTK Q06187 1/20 0.43
▸ AR P10275 4/20 0.43
▸ MAP4K1 Q92918 1/20 0.41
▸ ALK Q9UM73 1/20 0.38
▸ GSPT1 P15170 1/20 0.38

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
SCHEMBL28795193 0.99 CRBN (0.49) CRBNDDB1BTKARMAP4K1
SCHEMBL28795206 0.96 CRBN (0.54) CRBNDDB1ARGSPT1
SCHEMBL28795191 0.96 CRBN (0.53) CRBNDDB1AR
SCHEMBL28945672 0.94 CRBN (0.46) CRBNDDB1BTKARMAP4K1
SCHEMBL29803123 0.94 CRBN (0.46) CRBNDDB1BTKARMAP4K1
SCHEMBL29803111 0.93 CRBN (0.48) CRBNDDB1BTKARMAP4K1
SCHEMBL28945689 0.93 CRBN (0.48) CRBNDDB1BTKARMAP4K1
SCHEMBL29803014 0.92 CRBN (0.50) CRBNDDB1ARGSPT1
SCHEMBL28795334 0.92 CRBN (0.50) CRBNDDB1ARGSPT1
SCHEMBL28795241 0.91 CRBN (0.49) CRBNDDB1BTKARMAP4K1

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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