SCHEMBL28795225

SCHEMBL28795225

COc1cc(N2CCC3(CC2)CCN(C2CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC2)CC3)c(C)cc1N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.53
▸ DDB1 Q16531 9/20 0.44
▸ AR P10275 3/20 0.43
▸ BTK Q06187 1/20 0.41
▸ BRD9 Q9H8M2 1/20 0.40
▸ IKZF1 Q13422 1/20 0.39
▸ IKZF2 Q9UKS7 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ GSPT1 P15170 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 0.95 CRBN (0.49) CRBNDDB1ARBTKBRD9
SCHEMBL28795151 0.95 CRBN (0.57) CRBNDDB1ARBTKBRD9
SCHEMBL28795236 0.94 CRBN (0.51) CRBNDDB1ARBTKBRD9
SCHEMBL29803017 0.94 CRBN (0.56) CRBNDDB1ARBTKBRD9
SCHEMBL28795113 0.94 CRBN (0.56) CRBNDDB1ARBTKBRD9
SCHEMBL28795226 0.91 CRBN (0.52) CRBNDDB1ARBTKIKZF1
SCHEMBL28795307 0.90 CRBN (0.51) CRBNDDB1ARBTKIKZF1
SCHEMBL28795360 0.89 CRBN (0.51) CRBNDDB1ARBTKBRD9
SCHEMBL28795444 0.89 CRBN (0.52) CRBNDDB1ARBTKBRD9
SCHEMBL28795334 0.89 CRBN (0.50) CRBNDDB1ARBRD9CDK9

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
Send feedback