SCHEMBL26438424

SCHEMBL26438424

Cc1cnc(-c2nnc(N[C@H]3C[C@@](C)(O)C3)cc2C)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 13/20 0.60
TNF P01375 3/20 0.57
NLRP3 Q96P20 7/20 0.39

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
SCHEMBL26093106 1.00 IL1B (0.60) IL1BTNFNLRP3
SCHEMBL26093882 0.88 IL1B (0.71) IL1BTNFNLRP3
SCHEMBL26438422 0.88 IL1B (0.71) IL1BTNFNLRP3
SCHEMBL30375023 0.88 IL1B (0.71) IL1BTNFNLRP3
SCHEMBL25854962 0.85 IL1B (0.55) IL1BTNFNLRP3
SCHEMBL26438145 0.85 IL1B (0.72) IL1BTNFNLRP3
SCHEMBL26092367 0.85 IL1B (0.72) IL1BTNFNLRP3
SCHEMBL26437423 0.83 NLRP3 (0.47) IL1BTNFNLRP3
SCHEMBL26437416 0.83 IL1B (0.41) IL1BTNFNLRP3
SCHEMBL26437599 0.82 NLRP3 (0.46) IL1BTNFNLRP3

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-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