SCHEMBL28795360

SCHEMBL28795360

COc1cc(N2CCC3(CCN(CC4CCN(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 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 11/20 0.51
▸ AR P10275 4/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ BTK Q06187 3/20 0.44
▸ ALK Q9UM73 2/20 0.43
▸ BRD9 Q9H8M2 2/20 0.43
▸ DDB1 Q16531 2/20 0.43
▸ ITK Q08881 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ IRAK3 Q9Y616 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL28795377 0.95 CRBN (0.50) CRBNARCDK9BTKALK
SCHEMBL28795182 0.94 CRBN (0.54) CRBNARCDK9BTKALK
SCHEMBL28795391 0.94 CRBN (0.54) CRBNARCDK9BTKALK
SCHEMBL31458558 0.94 CRBN (0.54) CRBNARCDK9BTKALK
SCHEMBL28795140 0.93 CRBN (0.52) CRBNARCDK9BTKALK
SCHEMBL27161789 0.92 CRBN (0.50) CRBNARCDK9BTKALK
SCHEMBL28795285 0.91 CRBN (0.50) CRBNARCDK9BTKALK
SCHEMBL28795213 0.90 CRBN (0.49) CRBNARCDK9BTKALK
SCHEMBL28795224 0.90 CDK9 (0.51) CRBNARCDK9BTKALK
SCHEMBL31458419 0.89 CRBN (0.52) CRBNARCDK9BRD9DDB1

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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