SCHEMBL24606993

SCHEMBL24606993

Cc1ccc(C(C)C)c2c1n(C1CCC(=O)NC1=O)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.56
▸ DDB1 Q16531 16/20 0.56
▸ IKZF3 Q9UKT9 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TNF P01375 1/20 0.38
▸ IL1B P01584 1/20 0.38

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
SCHEMBL24607203 0.87 CRBN (0.55) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL23744779 0.87 CRBN (0.55) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL24607171 0.86 CRBN (0.54) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL25834828 0.84 CRBN (0.59) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL24204781 0.83 CRBN (0.58) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL21106894 0.82 DDB1 (0.67) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL21106899 0.82 DDB1 (0.67) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL21105892 0.82 DDB1 (0.67) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL24206529 0.81 DDB1 (0.70) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL25162155 0.81 CRBN (0.55) CRBNDDB1IKZF3ALDH1A1CHRM2

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-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 — — WO disclosed
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