SCHEMBL25856238

SCHEMBL25856238

C#Cc1ccc(-c2nnc(NC3CCCN(C)C3)nc2C2CC2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.52
IL1B P01584 10/20 0.48

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
SCHEMBL29030494 1.00 NLRP3 (0.52) NLRP3IL1B
SCHEMBL30488485 1.00 NLRP3 (0.52) NLRP3IL1B
SCHEMBL31548627 1.00 NLRP3 (0.52) NLRP3IL1B
SCHEMBL30833977 0.94 NLRP3 (0.45) NLRP3IL1B
SCHEMBL25303351 0.89 IL1B (0.52) NLRP3IL1B
SCHEMBL30488555 0.89 IL1B (0.52) NLRP3IL1B
SCHEMBL25303354 0.89 IL1B (0.52) NLRP3IL1B
SCHEMBL30833987 0.88 NLRP3 (0.56) NLRP3IL1B
SCHEMBL30833920 0.88 NLRP3 (0.40) NLRP3IL1B
SCHEMBL30834019 0.88 NLRP3 (0.49) 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 2 patents. 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
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed