SCHEMBL25862452

SCHEMBL25862452

CC(C)(C)OC(=O)N1CCC(OCC#Cc2cccc3c(C4CCC(=O)NC4=O)nn(C4CC4)c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 16/20 0.49
CRBN Q96SW2 16/20 0.49
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCD Q05655 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL25862159 0.90 DDB1 (0.51) DDB1CRBNPRMT5WDR77
SCHEMBL25862803 0.89 DDB1 (0.43) DDB1CRBNPRKCGPRKCBPRKCA
SCHEMBL25862453 0.84 CRBN (0.44) DDB1CRBN
SCHEMBL29323602 0.81 DDB1 (0.46) DDB1CRBNGPR119PRMT5WDR77
SCHEMBL29322908 0.80 DDB1 (0.47) DDB1CRBNPRKCGPRKCBPRKCA
SCHEMBL29323432 0.78 DDB1 (0.45) DDB1CRBNPRKCGPRKCBPRKCA
SCHEMBL31692169 0.77 DDB1 (0.61) DDB1CRBNPRKCGPRKCBPRKCA
SCHEMBL29079577 0.77 DDB1 (0.40) DDB1CRBNGPR119PRMT5WDR77
SCHEMBL21069281 0.76 IRAK4 (0.44) DDB1CRBNPRKCGPRKCBPRKCA
SCHEMBL30893291 0.76 IRAK4 (0.44) DDB1CRBNPRKCGPRKCBPRKCA

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-2023131167-A1 COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 海思科医药集团股份有限公司 2023-07-13 WO disclosed