SCHEMBL28795192

SCHEMBL28795192

COc1cc(N2CCC(N3CCC(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.49
▸ CRBN Q96SW2 12/20 0.47
▸ AR P10275 6/20 0.46
▸ IRAK1 P51617 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ IRAK3 Q9Y616 1/20 0.45
▸ DDB1 Q16531 2/20 0.44
▸ PLK4 O00444 2/20 0.44
▸ BTK Q06187 2/20 0.42
▸ BRD9 Q9H8M2 1/20 0.42
▸ ALK Q9UM73 2/20 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
SCHEMBL28795245 0.98 CRBN (0.47) CDK9CRBNARIRAK1IRAK4
SCHEMBL28795207 0.97 CRBN (0.47) CDK9CRBNARIRAK1IRAK4
SCHEMBL28795318 0.96 CDK9 (0.51) CDK9CRBNARIRAK1IRAK4
SCHEMBL31458460 0.96 CDK9 (0.51) CDK9CRBNARIRAK1IRAK4
SCHEMBL28795171 0.96 CDK9 (0.51) CDK9CRBNARIRAK1IRAK4
SCHEMBL28795316 0.94 PLK4 (0.45) CDK9CRBNARIRAK1IRAK4
SCHEMBL29976842 0.93 CDK9 (0.49) CDK9CRBNARIRAK1IRAK4
SCHEMBL27161964 0.93 CDK9 (0.49) CDK9CRBNARIRAK1IRAK4
SCHEMBL28795191 0.93 CRBN (0.53) CDK9CRBNARDDB1BRD9
SCHEMBL28795222 0.92 CRBN (0.49) CDK9CRBNARDDB1PLK4

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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