SCHEMBL25855444

SCHEMBL25855444

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C4CCOCC4)C3)c3c2CCCC3)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.48
IL1B P01584 7/20 0.38
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL25855459 0.94 NLRP3 (0.52) NLRP3IL1BIRAK4
SCHEMBL25855457 0.92 NLRP3 (0.49) NLRP3IL1B
SCHEMBL25864149 0.86 NLRP3 (0.45) NLRP3IL1BIRAK4
SCHEMBL30108660 0.85 NLRP3 (0.64) NLRP3IL1BIRAK4
SCHEMBL28934774 0.85 NLRP3 (0.64) NLRP3IL1BIRAK4
SCHEMBL28934780 0.85 NLRP3 (0.64) NLRP3IL1BIRAK4
SCHEMBL30488478 0.84 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25854470 0.84 NLRP3 (0.57) NLRP3IL1B
SCHEMBL29030504 0.84 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25855246 0.83 NLRP3 (0.55) NLRP3IL1B

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-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed