SCHEMBL28795236

SCHEMBL28795236

COc1cc(N2CCC3(CC2)CCN(C2CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C2)CC3)c(C)cc1N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.51
▸ AR P10275 2/20 0.46
▸ BTK Q06187 1/20 0.45
▸ DDB1 Q16531 9/20 0.44
▸ MAP4K1 Q92918 1/20 0.42
▸ ALK Q9UM73 2/20 0.39
▸ GSPT1 P15170 1/20 0.39
▸ BRD9 Q9H8M2 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
SCHEMBL28795420 0.98 CRBN (0.49) CRBNARBTKDDB1MAP4K1
SCHEMBL28795444 0.95 CRBN (0.52) CRBNARBTKDDB1MAP4K1
SCHEMBL28795225 0.94 CRBN (0.53) CRBNARBTKDDB1GSPT1
SCHEMBL28795226 0.93 CRBN (0.52) CRBNARBTKDDB1MAP4K1
SCHEMBL28795307 0.92 CRBN (0.51) CRBNARBTKDDB1MAP4K1
SCHEMBL28795151 0.89 CRBN (0.57) CRBNARBTKDDB1BRD9
SCHEMBL29803111 0.89 CRBN (0.48) CRBNARBTKDDB1MAP4K1
SCHEMBL28945689 0.89 CRBN (0.48) CRBNARBTKDDB1MAP4K1
SCHEMBL29803017 0.88 CRBN (0.56) CRBNARBTKDDB1BRD9
SCHEMBL28795113 0.88 CRBN (0.56) CRBNARBTKDDB1BRD9

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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