SCHEMBL28795391

SCHEMBL28795391

COc1cc(N2CCN(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)c(C)cc1N

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 11/20 0.54
▸ CDK9 P50750 1/20 0.53
▸ AR P10275 4/20 0.51
▸ BRD9 Q9H8M2 1/20 0.47
▸ ALK Q9UM73 2/20 0.47
▸ BTK Q06187 3/20 0.46
▸ DDB1 Q16531 2/20 0.45
▸ PLK4 O00444 1/20 0.44
▸ RAF1 P04049 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ IRAK1 P51617 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ IRAK3 Q9Y616 1/20 0.44

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
SCHEMBL31458558 1.00 CRBN (0.54) CRBNCDK9ARBRD9ALK
SCHEMBL28795182 1.00 CRBN (0.54) CRBNCDK9ARBRD9ALK
SCHEMBL28795224 0.96 CDK9 (0.51) CRBNCDK9ARBRD9ALK
SCHEMBL28795140 0.96 CRBN (0.52) CRBNCDK9ARBRD9ALK
SCHEMBL28795285 0.95 CRBN (0.50) CRBNCDK9ARBRD9ALK
SCHEMBL28795213 0.94 CRBN (0.49) CRBNCDK9ARBRD9ALK
SCHEMBL28795360 0.94 CRBN (0.51) CRBNCDK9ARBRD9ALK
SCHEMBL28795377 0.92 CRBN (0.50) CRBNCDK9ARBRD9ALK
SCHEMBL31458430 0.92 ALK (0.54) CRBNCDK9ARBRD9ALK
SCHEMBL28795197 0.91 CRBN (0.47) CRBNCDK9ARBRD9ALK

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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