SCHEMBL25958517

SCHEMBL25958517

CN1CCN(CC#Cc2cccc3c2n(C)c(=O)n3C2CCCNC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ DDB1 Q16531 2/20 0.35
▸ CRBN Q96SW2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GRIN1 Q05586 1/20 0.31

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
SCHEMBL25958397 0.85 CRBN (0.53) DDB1CRBN
SCHEMBL24608128 0.79 DDB1 (0.53) DDB1CRBN
SCHEMBL29751502 0.79 DDB1 (0.53) DDB1CRBN
SCHEMBL26782478 0.77 DDB1 (0.48) DDB1CRBN
SCHEMBL31134628 0.76 DDB1 (0.52) DDB1CRBN
SCHEMBL21997628 0.74 CRBN (0.49) DDB1CRBN
SCHEMBL23832603 0.74 DDB1 (0.45) DDB1CRBN
SCHEMBL29347152 0.73 HTR4 (0.32) DDB1CRBN
Trifluoroacetic Acid SCHEMBL30392561 0.73 DDB1 (0.46) DDB1CRBN
SCHEMBL25961447 0.72 DDB1 (0.51) DDB1CRBN

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-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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