SCHEMBL25856260

SCHEMBL25856260

Cc1nc(NC2CCCN(C)C2)nnc1-c1ccc(C#CBr)cc1O

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.52
NLRP3 Q96P20 14/20 0.49

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
SCHEMBL25856262 0.93 IL1B (0.51) IL1BNLRP3
SCHEMBL25856264 0.92 IL1B (0.51) IL1BNLRP3
SCHEMBL30488546 0.90 IL1B (0.49) IL1BNLRP3
SCHEMBL25856267 0.90 IL1B (0.49) IL1BNLRP3
SCHEMBL29030572 0.90 IL1B (0.49) IL1BNLRP3
SCHEMBL25303351 0.89 IL1B (0.52) IL1BNLRP3
SCHEMBL29030492 0.89 NLRP3 (0.56) IL1BNLRP3
SCHEMBL30488578 0.89 NLRP3 (0.56) IL1BNLRP3
SCHEMBL25303354 0.89 IL1B (0.52) IL1BNLRP3
SCHEMBL30488555 0.89 IL1B (0.52) IL1BNLRP3

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