SCHEMBL25856253

SCHEMBL25856253

C#Cc1cnc(-c2nnc(NC3CCCN(C)C3)nc2C)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.53
IL1B P01584 11/20 0.42

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
SCHEMBL26437268 0.87 NLRP3 (0.68) NLRP3IL1B
SCHEMBL25303351 0.86 IL1B (0.52) NLRP3IL1B
SCHEMBL30488555 0.86 IL1B (0.52) NLRP3IL1B
SCHEMBL25303354 0.86 IL1B (0.52) NLRP3IL1B
SCHEMBL26437249 0.85 NLRP3 (0.55) NLRP3IL1B
SCHEMBL30374870 0.83 IL1B (0.57) NLRP3IL1B
SCHEMBL26093410 0.83 IL1B (0.57) NLRP3IL1B
SCHEMBL26093401 0.83 IL1B (0.57) NLRP3IL1B
SCHEMBL30834052 0.80 NLRP3 (0.45) NLRP3IL1B
SCHEMBL29030492 0.78 NLRP3 (0.56) 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