SCHEMBL28795222

SCHEMBL28795222

COc1cc(N2CCC(C3CCN(CC4CCN(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 11)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.49
▸ AR P10275 3/20 0.49
▸ CDK9 P50750 1/20 0.47
▸ DDB1 Q16531 4/20 0.47
▸ BTK Q06187 4/20 0.44
▸ ALK Q9UM73 2/20 0.43
▸ PLK4 O00444 2/20 0.43
▸ BRD9 Q9H8M2 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ GSPT1 P15170 1/20 0.40
▸ ITK Q08881 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
SCHEMBL28795171 0.96 CDK9 (0.51) CRBNARCDK9DDB1BTK
SCHEMBL31458460 0.96 CDK9 (0.51) CRBNARCDK9DDB1BTK
SCHEMBL28795318 0.96 CDK9 (0.51) CRBNARCDK9DDB1BTK
SCHEMBL28795207 0.93 CRBN (0.47) CRBNARCDK9DDB1BTK
SCHEMBL29802996 0.93 CRBN (0.48) CRBNARCDK9DDB1BTK
SCHEMBL28795322 0.93 CRBN (0.48) CRBNARCDK9DDB1BTK
SCHEMBL28795245 0.93 CRBN (0.47) CRBNARCDK9DDB1BTK
SCHEMBL29976075 0.93 CRBN (0.49) CRBNARCDK9DDB1BTK
SCHEMBL27161955 0.93 CRBN (0.49) CRBNARCDK9DDB1BTK
SCHEMBL28795192 0.92 CDK9 (0.49) CRBNARCDK9DDB1BTK

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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