SCHEMBL28795420

SCHEMBL28795420

COc1cc(N2CCC3(CC2)CCN(C2CCN(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC2)CC3)c(C)cc1N

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.49
▸ BTK Q06187 1/20 0.47
▸ AR P10275 4/20 0.44
▸ DDB1 Q16531 7/20 0.43
▸ MAP4K1 Q92918 1/20 0.42
▸ ALK Q9UM73 2/20 0.38
▸ IKZF1 Q13422 1/20 0.38
▸ IKZF2 Q9UKS7 1/20 0.38
▸ BRD9 Q9H8M2 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
SCHEMBL28795236 0.98 CRBN (0.51) CRBNBTKARDDB1MAP4K1
SCHEMBL28795225 0.95 CRBN (0.53) CRBNBTKARDDB1IKZF1
SCHEMBL28795307 0.94 CRBN (0.51) CRBNBTKARDDB1MAP4K1
SCHEMBL28795226 0.94 CRBN (0.52) CRBNBTKARDDB1MAP4K1
SCHEMBL28795444 0.93 CRBN (0.52) CRBNBTKARDDB1MAP4K1
SCHEMBL28795151 0.90 CRBN (0.57) CRBNBTKARDDB1IKZF1
SCHEMBL29803123 0.89 CRBN (0.46) CRBNBTKARDDB1MAP4K1
SCHEMBL28945672 0.89 CRBN (0.46) CRBNBTKARDDB1MAP4K1
SCHEMBL28795113 0.89 CRBN (0.56) CRBNBTKARDDB1IKZF1
SCHEMBL29803017 0.89 CRBN (0.56) CRBNBTKARDDB1IKZF1

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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