SCHEMBL28795113

SCHEMBL28795113

COc1cc(N2CCC(N3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)c(C)cc1N

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.56
▸ AR P10275 3/20 0.47
▸ DDB1 Q16531 8/20 0.47
▸ BRD9 Q9H8M2 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ IKZF1 Q13422 2/20 0.42
▸ TNF P01375 1/20 0.42
▸ IL1B P01584 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ IKZF3 Q9UKT9 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ IKZF2 Q9UKS7 1/20 0.41
▸ HPGDS O60760 1/20 0.41

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
SCHEMBL29803017 1.00 CRBN (0.56) CRBNARDDB1BRD9BTK
SCHEMBL28795151 0.99 CRBN (0.57) CRBNARDDB1BRD9BTK
SCHEMBL28795226 0.95 CRBN (0.52) CRBNARDDB1BTKIKZF1
SCHEMBL28795307 0.95 CRBN (0.51) CRBNARDDB1BTKIKZF1
SCHEMBL28795225 0.94 CRBN (0.53) CRBNARDDB1BRD9BTK
SCHEMBL28795213 0.94 CRBN (0.49) CRBNARDDB1BRD9BTK
SCHEMBL28795285 0.93 CRBN (0.50) CRBNARDDB1BRD9BTK
SCHEMBL28795224 0.92 CDK9 (0.51) CRBNARDDB1BRD9BTK
SCHEMBL28795197 0.90 CRBN (0.47) CRBNARDDB1BRD9BTK
SCHEMBL31458558 0.89 CRBN (0.54) CRBNARDDB1BRD9BTK

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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