SCHEMBL28795263

SCHEMBL28795263

COc1cc(N2CCC3(CC2)CN(CC2CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC2)C3)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.47
▸ DDB1 Q16531 3/20 0.45
▸ AR P10275 3/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ BTK Q06187 3/20 0.41
▸ ALK Q9UM73 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ ITK Q08881 1/20 0.39
▸ BRD9 Q9H8M2 2/20 0.39
▸ IRAK1 P51617 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ IRAK3 Q9Y616 1/20 0.38
▸ RAF1 P04049 1/20 0.37

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
SCHEMBL28795322 0.95 CRBN (0.48) CRBNDDB1ARCDK9BTK
SCHEMBL29802996 0.95 CRBN (0.48) CRBNDDB1ARCDK9BTK
SCHEMBL31458460 0.93 CDK9 (0.51) CRBNDDB1ARCDK9BTK
SCHEMBL28795318 0.93 CDK9 (0.51) CRBNDDB1ARCDK9BTK
SCHEMBL28795171 0.93 CDK9 (0.51) CRBNDDB1ARCDK9BTK
SCHEMBL28795222 0.91 CRBN (0.49) CRBNDDB1ARCDK9BTK
SCHEMBL28795245 0.90 CRBN (0.47) CRBNDDB1ARCDK9BTK
SCHEMBL28795377 0.89 CRBN (0.50) CRBNDDB1ARCDK9BTK
SCHEMBL28795192 0.89 CDK9 (0.49) CRBNDDB1ARCDK9BTK
SCHEMBL28795207 0.89 CRBN (0.47) CRBNDDB1ARCDK9BTK

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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