SCHEMBL21997877

SCHEMBL21997877

CCCCC1C=C(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 19/20 0.46
CRBN Q96SW2 19/20 0.46
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33
OPRM1 P35372 1/20 0.33
IKZF3 Q9UKT9 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL26099448 0.78 CRBN (0.53) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL21997875 0.77 CRBN (0.45) DDB1CRBN
SCHEMBL29077504 0.76 CRBN (0.49) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL22836025 0.74 CRBN (0.50) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL26272283 0.73 CRBN (0.61) DDB1CRBNIKZF3
SCHEMBL21997352 0.72 CRBN (0.56) DDB1CRBNIKZF3
SCHEMBL21996914 0.72 DDB1 (0.65) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL24607915 0.72 CRBN (0.58) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL29751610 0.72 CRBN (0.58) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL26447957 0.72 DDB1 (0.58) DDB1CRBNALDH1A1CHRM2OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed