SCHEMBL28795316

SCHEMBL28795316

COc1cc(N2CCC(N3CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 3/20 0.45
▸ CRBN Q96SW2 12/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ DDB1 Q16531 2/20 0.44
▸ AR P10275 6/20 0.43
▸ ALK Q9UM73 3/20 0.43
▸ BTK Q06187 3/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ IRAK3 Q9Y616 1/20 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
SCHEMBL28795245 0.96 CRBN (0.47) PLK4CRBNCDK9DDB1AR
SCHEMBL28795207 0.94 CRBN (0.47) PLK4CRBNCDK9DDB1AR
SCHEMBL28795192 0.94 CDK9 (0.49) PLK4CRBNCDK9DDB1AR
SCHEMBL27163130 0.93 CRBN (0.44) PLK4CRBNCDK9DDB1AR
SCHEMBL29976265 0.93 CRBN (0.44) PLK4CRBNCDK9DDB1AR
SCHEMBL28795171 0.91 CDK9 (0.51) PLK4CRBNCDK9DDB1AR
SCHEMBL31458460 0.91 CDK9 (0.51) PLK4CRBNCDK9DDB1AR
SCHEMBL28795318 0.91 CDK9 (0.51) PLK4CRBNCDK9DDB1AR
SCHEMBL28795206 0.91 CRBN (0.54) CRBNCDK9DDB1AR
SCHEMBL28795252 0.91 CRBN (0.49) CRBNDDB1ARALKBTK

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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