SCHEMBL28795224

SCHEMBL28795224

COc1cc(N2CCC(N3CCC(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)c(C)cc1N

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.51
▸ CRBN Q96SW2 12/20 0.49
▸ AR P10275 6/20 0.47
▸ BTK Q06187 2/20 0.46
▸ IRAK1 P51617 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ IRAK3 Q9Y616 1/20 0.46
▸ BRD9 Q9H8M2 1/20 0.45
▸ PLK4 O00444 1/20 0.44
▸ ALK Q9UM73 3/20 0.44
▸ RAF1 P04049 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ DDB1 Q16531 2/20 0.42

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
SCHEMBL28795285 0.98 CRBN (0.50) CDK9CRBNARBTKIRAK1
SCHEMBL28795213 0.97 CRBN (0.49) CDK9CRBNARBTKIRAK1
SCHEMBL31458558 0.96 CRBN (0.54) CDK9CRBNARBTKIRAK1
SCHEMBL28795182 0.96 CRBN (0.54) CDK9CRBNARBTKIRAK1
SCHEMBL28795391 0.96 CRBN (0.54) CDK9CRBNARBTKIRAK1
SCHEMBL28795197 0.94 CRBN (0.47) CDK9CRBNARBTKIRAK1
SCHEMBL27162299 0.93 CDK9 (0.51) CDK9CRBNARBTKIRAK1
SCHEMBL29803017 0.92 CRBN (0.56) CDK9CRBNARBTKBRD9
SCHEMBL28795113 0.92 CRBN (0.56) CDK9CRBNARBTKBRD9
SCHEMBL28795140 0.92 CRBN (0.52) CDK9CRBNARBTKBRD9

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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