SCHEMBL31458460

SCHEMBL31458460

COc1cc(N2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.51
▸ CRBN Q96SW2 12/20 0.51
▸ AR P10275 4/20 0.48
▸ DDB1 Q16531 3/20 0.48
▸ BRD9 Q9H8M2 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ BTK Q06187 2/20 0.44
▸ ALK Q9UM73 2/20 0.43
▸ RAF1 P04049 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ IRAK3 Q9Y616 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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 1.00 CDK9 (0.51) CDK9CRBNARDDB1BRD9
SCHEMBL28795318 1.00 CDK9 (0.51) CDK9CRBNARDDB1BRD9
SCHEMBL28795192 0.96 CDK9 (0.49) CDK9CRBNARDDB1BRD9
SCHEMBL28795222 0.96 CRBN (0.49) CDK9CRBNARDDB1BRD9
SCHEMBL28795245 0.95 CRBN (0.47) CDK9CRBNARDDB1BRD9
SCHEMBL28795207 0.95 CRBN (0.47) CDK9CRBNARDDB1BRD9
SCHEMBL29802996 0.95 CRBN (0.48) CDK9CRBNARDDB1BRD9
SCHEMBL28795322 0.95 CRBN (0.48) CDK9CRBNARDDB1BRD9
SCHEMBL28795263 0.93 CRBN (0.47) CDK9CRBNARDDB1BRD9
SCHEMBL28795316 0.91 PLK4 (0.45) CDK9CRBNARDDB1PLK4

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
WO-2025067509-A1 EGFR DEGRADANT, AND PREPARATION METHOD AND USE THEREFOR 石药集团中奇制药技术(石家庄)有限公司 2025-04-03 — — WO disclosed
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