SCHEMBL25855247

SCHEMBL25855247

C#Cc1ccc(-c2nnc(NC3CCCOC3)c3c2CCCC3)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.54
IL1B P01584 2/20 0.33
GBA1 P04062 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
KCNH2 Q12809 1/20 0.32
CD38 P28907 1/20 0.32
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
BTK Q06187 1/20 0.30
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL25855246 0.95 NLRP3 (0.55) NLRP3IL1BGPR84
SCHEMBL30488599 0.84 KDM4E (0.41) NLRP3IL1BGBA1JAK2JAK1
SCHEMBL25302310 0.84 KDM4E (0.41) NLRP3IL1BGBA1JAK2JAK1
SCHEMBL25302312 0.84 KDM4E (0.41) NLRP3IL1BGBA1JAK2JAK1
SCHEMBL25855457 0.83 NLRP3 (0.49) NLRP3IL1B
SCHEMBL25855250 0.82 NLRP3 (0.54) NLRP3IL1B
SCHEMBL25855444 0.82 NLRP3 (0.48) NLRP3IL1B
SCHEMBL25302297 0.82 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25303433 0.82 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25854954 0.82 NLRP3 (0.57) 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 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