SCHEMBL30893185

SCHEMBL30893185

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.45
DDB1 Q16531 12/20 0.44
CRBN Q96SW2 12/20 0.44
EGFR P00533 6/20 0.35
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL30893202 1.00 IRAK4 (0.45) IRAK4DDB1CRBNEGFRMMP1
SCHEMBL30893227 1.00 IRAK4 (0.45) IRAK4DDB1CRBNEGFRMMP1
SCHEMBL30569047 0.90 DDB1 (0.46) IRAK4DDB1CRBNEGFR
SCHEMBL30893229 0.89 IRAK4 (0.44) IRAK4DDB1CRBN
SCHEMBL21069281 0.89 IRAK4 (0.44) IRAK4DDB1CRBN
SCHEMBL30893291 0.89 IRAK4 (0.44) IRAK4DDB1CRBN
SCHEMBL25959886 0.88 CRBN (0.51) IRAK4DDB1CRBNEGFR
Trifluoroacetic Acid SCHEMBL30392723 0.88 DDB1 (0.44) IRAK4DDB1CRBNEGFR
SCHEMBL21069639 0.88 DDB1 (0.46) IRAK4DDB1CRBNEGFR
SCHEMBL21070239 0.88 DDB1 (0.46) IRAK4DDB1CRBNEGFR

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