SCHEMBL30893229

SCHEMBL30893229

Cn1c(=O)n([C@H]2CCC(=O)NC2=O)c2cccc(C#CCOC3CCN(C(=O)OC(C)(C)C)CC3)c21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
DDB1 Q16531 16/20 0.44
CRBN Q96SW2 16/20 0.44
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCD Q05655 1/20 0.36
CCR5 P51681 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL30893291 1.00 IRAK4 (0.44) IRAK4DDB1CRBNPRKCGPRKCB
SCHEMBL21069281 1.00 IRAK4 (0.44) IRAK4DDB1CRBNPRKCGPRKCB
SCHEMBL21107388 0.96 IRAK4 (0.43) IRAK4DDB1CRBNPRMT5WDR77
SCHEMBL21106792 0.96 IRAK4 (0.43) IRAK4DDB1CRBNPRMT5WDR77
SCHEMBL29612710 0.96 IRAK4 (0.43) IRAK4DDB1CRBNPRMT5WDR77
SCHEMBL29612668 0.96 IRAK4 (0.43) IRAK4DDB1CRBNPRMT5WDR77
SCHEMBL24571632 0.94 IRAK4 (0.49) IRAK4DDB1CRBNCCR5PRMT5
SCHEMBL29641029 0.94 IRAK4 (0.49) IRAK4DDB1CRBNCCR5PRMT5
SCHEMBL30361084 0.93 DDB1 (0.43) IRAK4DDB1CRBN
SCHEMBL30361088 0.93 DDB1 (0.43) IRAK4DDB1CRBN

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-2024097948-A1 DEGRADERS OF MDM2 AND USES THEREOF ROIVANT DISCOVERY, INC. (US) 2024-05-10 WO disclosed