SCHEMBL24872916

SCHEMBL24872916

Cn1c(=O)n(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2cccc(I)c21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.40
▸ MAOB P27338 3/20 0.39
▸ MAOA P21397 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.38
▸ GRM5 P41594 2/20 0.37
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ BAK1 Q16611 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ GLP1R P43220 1/20 0.33

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
SCHEMBL30112464 1.00 PKM (0.40) PKMMAOBMAOAADORA3GRM5
SCHEMBL23539986 0.88 PKM (0.40) PKMMAOBMAOAADORA3GRM5
SCHEMBL31554672 0.88 PKM (0.40) PKMMAOBMAOAADORA3GRM5
SCHEMBL23541241 0.88 PKM (0.40) PKMMAOBMAOAADORA3GRM5
SCHEMBL31554655 0.84 PIN1 (0.41) PKMMAOBMAOAADORA3GRM5
SCHEMBL31443821 0.84 PKM (0.39) PKMMAOBMAOAADORA3GRM5
SCHEMBL30511795 0.84 MAOB (0.38) PKMMAOBMAOAADORA3GRM5
SCHEMBL30511790 0.82 GRM5 (0.37) PKMMAOBMAOAADORA3GRM5
SCHEMBL24819519 0.81 MAOB (0.40) PKMMAOBMAOAADORA3GRM5
SCHEMBL30893179 0.81 MAOB (0.40) PKMMAOBMAOAADORA3GRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957225-A Compounds for targeting degradation of IRAK4 proteins 渤健马萨诸塞州股份有限公司 2024-04-30 — — CN disclosed
CN-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 — — CN disclosed
WO-2023283610-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 — — WO disclosed
WO-2023283372-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 — — WO disclosed
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