SCHEMBL26437607

SCHEMBL26437607

Cc1cnc(-c2nnc(NC3CCCN(CC(N)=O)C3)c(C)c2C)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.54
IL1B P01584 6/20 0.43
PRKCI P41743 2/20 0.39
KAT2B Q92831 1/20 0.36
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35

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
SCHEMBL26437605 0.92 NLRP3 (0.55) NLRP3IL1BKAT2B
SCHEMBL26437596 0.91 NLRP3 (0.47) NLRP3IL1BPRKCIJAK2JAK3
SCHEMBL26436773 0.89 NLRP3 (0.51) NLRP3IL1BPRKCIKAT2B
SCHEMBL26436315 0.89 NLRP3 (0.60) NLRP3IL1BPRKCIJAK2JAK3
SCHEMBL26437573 0.89 IL1B (0.54) NLRP3IL1B
SCHEMBL26437431 0.86 NLRP3 (0.49) NLRP3IL1B
SCHEMBL26437287 0.85 NLRP3 (0.49) NLRP3KAT2BJAK3
SCHEMBL26437594 0.83 NLRP3 (0.48) NLRP3IL1B
SCHEMBL26437588 0.82 NLRP3 (0.76) NLRP3IL1B
SCHEMBL26436765 0.81 NLRP3 (0.52) NLRP3IL1BKAT2B

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