SCHEMBL28795245

SCHEMBL28795245

COc1cc(N2CCC(N3CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ AR P10275 6/20 0.46
▸ IRAK1 P51617 2/20 0.45
▸ IRAK4 Q9NWZ3 2/20 0.45
▸ IRAK3 Q9Y616 2/20 0.45
▸ DDB1 Q16531 2/20 0.45
▸ PLK4 O00444 3/20 0.44
▸ BTK Q06187 2/20 0.43
▸ ALK Q9UM73 2/20 0.41
▸ BRD9 Q9H8M2 1/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ HASPIN Q8TF76 1/20 0.40
▸ CDK19 Q9BWU1 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
SCHEMBL28795192 0.98 CDK9 (0.49) CRBNCDK9ARIRAK1IRAK4
SCHEMBL28795207 0.98 CRBN (0.47) CRBNCDK9ARIRAK1IRAK4
SCHEMBL28795316 0.96 PLK4 (0.45) CRBNCDK9ARIRAK1IRAK4
SCHEMBL31458460 0.95 CDK9 (0.51) CRBNCDK9ARIRAK1IRAK4
SCHEMBL28795318 0.95 CDK9 (0.51) CRBNCDK9ARIRAK1IRAK4
SCHEMBL28795171 0.95 CDK9 (0.51) CRBNCDK9ARIRAK1IRAK4
SCHEMBL28795206 0.94 CRBN (0.54) CRBNCDK9ARDDB1
SCHEMBL28795191 0.93 CRBN (0.53) CRBNCDK9ARDDB1BRD9
SCHEMBL29976308 0.93 CDK9 (0.47) CRBNCDK9ARIRAK1IRAK4
SCHEMBL27162159 0.93 CDK9 (0.47) CRBNCDK9ARIRAK1IRAK4

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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