SCHEMBL25475645

SCHEMBL25475645

CCc1cccc2nc(C)n([C@H]3CCC(=O)NC3=O)c(=O)c12

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 19/20 0.74
CRBN Q96SW2 19/20 0.74
IKZF3 Q9UKT9 3/20 0.74
TNF P01375 1/20 0.74
IL1B P01584 1/20 0.74
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
OPRM1 P35372 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14218469 1.00 DDB1 (0.74) DDB1CRBNIKZF3TNFIL1B
SCHEMBL18904277 0.91 DDB1 (0.75) DDB1CRBNIKZF3TNFIL1B
SCHEMBL18945872 0.91 DDB1 (0.75) DDB1CRBNIKZF3TNFIL1B
SCHEMBL283241 0.91 DDB1 (0.75) DDB1CRBNIKZF3TNFIL1B
Hydrochloric Acid SCHEMBL284302 0.90 DDB1 (0.74) DDB1CRBNIKZF3TNFIL1B
SCHEMBL24132518 0.90 DDB1 (0.70) DDB1CRBNIKZF3TNFIL1B
SCHEMBL2603174 0.90 DDB1 (0.70) DDB1CRBNIKZF3TNFIL1B
SCHEMBL30572353 0.90 CRBN (0.67) DDB1CRBNIKZF3TNFIL1B
SCHEMBL24113880 0.89 DDB1 (0.69) DDB1CRBNIKZF3TNFIL1B
Hydrochloric Acid SCHEMBL284301 0.89 DDB1 (0.72) DDB1CRBNIKZF3TNFIL1B

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-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed