SCHEMBL25856246

SCHEMBL25856246

Cc1nc(NC2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 15/20 0.73
NLRP3 Q96P20 9/20 0.72

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
SCHEMBL29975639 1.00 IL1B (0.73) IL1BNLRP3
SCHEMBL26092859 1.00 IL1B (0.73) IL1BNLRP3
SCHEMBL30295387 1.00 IL1B (0.73) IL1BNLRP3
Hydrochloric Acid SCHEMBL29975495 0.99 IL1B (0.72) IL1BNLRP3
Hydrochloric Acid SCHEMBL29155891 0.99 IL1B (0.72) IL1BNLRP3
SCHEMBL24696095 0.90 IL1B (0.58) IL1BNLRP3
SCHEMBL30054108 0.90 IL1B (0.58) IL1BNLRP3
SCHEMBL24696278 0.90 IL1B (0.58) IL1BNLRP3
SCHEMBL30055328 0.90 IL1B (0.58) IL1BNLRP3
SCHEMBL30054531 0.90 IL1B (0.58) 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 5 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
CN-116102535-A Nitrogen-containing compound, preparation method and application thereof 索智生物科技(浙江)有限公司 2023-05-12 CN disclosed
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed