SCHEMBL25296221

SCHEMBL25296221

C#Cc1ccc(-c2nnc(NC3CCCN(C)C3)c3cnccc23)c(OCOCC)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.43
IL1B P01584 8/20 0.40
KAT2B Q92831 1/20 0.34
BTK Q06187 1/20 0.34
EGFR P00533 2/20 0.33
ROCK2 O75116 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL25296220 1.00 NLRP3 (0.43) NLRP3IL1BKAT2BBTKEGFR
SCHEMBL30488565 1.00 NLRP3 (0.43) NLRP3IL1BKAT2BBTKEGFR
SCHEMBL25255243 0.91 NLRP3 (0.51) NLRP3IL1BKAT2BEGFREHMT2
SCHEMBL25296315 0.91 NLRP3 (0.51) NLRP3IL1BKAT2BEGFREHMT2
SCHEMBL30488465 0.87 NLRP3 (0.42) NLRP3IL1BKAT2BBTKEGFR
SCHEMBL30488508 0.85 NLRP3 (0.56) NLRP3IL1B
SCHEMBL25261360 0.85 NLRP3 (0.56) NLRP3IL1B
SCHEMBL25299333 0.85 NLRP3 (0.56) NLRP3IL1B
SCHEMBL25302271 0.84 NLRP3 (0.45) NLRP3IL1BEHMT2
SCHEMBL25302275 0.84 NLRP3 (0.45) NLRP3IL1BEHMT2

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