SCHEMBL23950374

SCHEMBL23950374

CCc1cc2c(=O)n(CC)nc(C(C)C)n2n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.37
PDE3A Q14432 10/20 0.35
PDE4B Q07343 9/20 0.35
ADORA2A P29274 1/20 0.33
PDE6D O43924 1/20 0.31
PDE5A O76074 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31
PDE6H Q13956 1/20 0.31
KAT2B Q92831 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 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
SCHEMBL23950209 0.86 NLRP3 (0.43) NLRP3PDE3APDE4B
SCHEMBL23950372 0.82 NLRP3 (0.42) NLRP3PDE4B
SCHEMBL23950601 0.76 NLRP3 (0.43) NLRP3
SCHEMBL23950598 0.74 NLRP3 (0.63) NLRP3
SCHEMBL23952353 0.73 NLRP3 (0.39) NLRP3PDE3APDE4BKAT2B
SCHEMBL23950371 0.73 PDE4B (0.37) PDE3APDE4B
SCHEMBL23950365 0.72 KDM4E (0.43) NLRP3
SCHEMBL23950432 0.71 NLRP3 (0.38) NLRP3
SCHEMBL23950174 0.70 NLRP3 (0.42) NLRP3PDE6DPDE5APDE6APDE6G
SCHEMBL23950178 0.68 NLRP3 (0.43) NLRP3

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-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 WO disclosed