SCHEMBL31458430

SCHEMBL31458430

CCc1cc(N)c(OC)cc1N1CCC(CN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.54
▸ CRBN Q96SW2 13/20 0.53
▸ CDK9 P50750 1/20 0.52
▸ AR P10275 4/20 0.50
▸ BRD9 Q9H8M2 1/20 0.47
▸ BTK Q06187 3/20 0.46
▸ DDB1 Q16531 3/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ IRAK1 P51617 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ IRAK3 Q9Y616 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ EGFR P00533 1/20 0.42

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
SCHEMBL28795182 0.92 CRBN (0.54) ALKCRBNCDK9ARBRD9
SCHEMBL31458558 0.92 CRBN (0.54) ALKCRBNCDK9ARBRD9
SCHEMBL28795391 0.92 CRBN (0.54) ALKCRBNCDK9ARBRD9
SCHEMBL28795224 0.88 CDK9 (0.51) ALKCRBNCDK9ARBRD9
SCHEMBL28795140 0.88 CRBN (0.52) ALKCRBNCDK9ARBRD9
SCHEMBL27162299 0.87 CDK9 (0.51) ALKCRBNCDK9ARBRD9
SCHEMBL28795285 0.87 CRBN (0.50) ALKCRBNCDK9ARBRD9
SCHEMBL27162243 0.87 CRBN (0.51) ALKCRBNCDK9ARBRD9
SCHEMBL28795213 0.87 CRBN (0.49) ALKCRBNCDK9ARBRD9
SCHEMBL29975947 0.87 CRBN (0.49) ALKCRBNCDK9ARBRD9

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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