SCHEMBL28795322

SCHEMBL28795322

COc1cc(N2CCC3(CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.48
▸ AR P10275 4/20 0.47
▸ CDK9 P50750 1/20 0.46
▸ DDB1 Q16531 3/20 0.46
▸ BTK Q06187 3/20 0.42
▸ ALK Q9UM73 2/20 0.41
▸ BRD9 Q9H8M2 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ ITK Q08881 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ IRAK3 Q9Y616 1/20 0.40
▸ RAF1 P04049 1/20 0.39

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
SCHEMBL29802996 1.00 CRBN (0.48) CRBNARCDK9DDB1BTK
SCHEMBL28795263 0.95 CRBN (0.47) CRBNARCDK9DDB1BTK
SCHEMBL31458460 0.95 CDK9 (0.51) CRBNARCDK9DDB1BTK
SCHEMBL28795318 0.95 CDK9 (0.51) CRBNARCDK9DDB1BTK
SCHEMBL28795171 0.95 CDK9 (0.51) CRBNARCDK9DDB1BTK
SCHEMBL28795222 0.93 CRBN (0.49) CRBNARCDK9DDB1BTK
SCHEMBL27163152 0.93 CRBN (0.47) CRBNARCDK9DDB1BTK
SCHEMBL29976022 0.93 CRBN (0.47) CRBNARCDK9DDB1BTK
SCHEMBL28795245 0.91 CRBN (0.47) CRBNARCDK9DDB1BTK
SCHEMBL28795192 0.91 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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