SCHEMBL31043271

SCHEMBL31043271

Oc1cc(C(F)(F)F)ccc1-c1nnc(NC2CCCC2)c2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 7/20 0.56
NLRP3 Q96P20 6/20 0.54
KCNH2 Q12809 1/20 0.54
LATS1 O95835 3/20 0.46
LATS2 Q9NRM7 2/20 0.46
ADORA3 P0DMS8 1/20 0.43
GABRA1 P14867 1/20 0.43
TACR2 P21452 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
OPRD1 P41143 1/20 0.43
KMT5B Q4FZB7 1/20 0.43
KMT5C Q86Y97 1/20 0.43
TNF P01375 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
GABBR2 O75899 3/20 0.40
GABBR1 Q9UBS5 3/20 0.40
CHEK1 O14757 1/20 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
SCHEMBL30994540 0.99 IL1B (0.55) IL1BNLRP3KCNH2LATS1LATS2
SCHEMBL30994534 0.92 IL1B (0.50) IL1BNLRP3KCNH2LATS1LATS2
SCHEMBL30213864 0.91 IL1B (0.49) IL1BNLRP3KCNH2LATS1LATS2
SCHEMBL29275723 0.91 IL1B (0.49) IL1BNLRP3KCNH2LATS1LATS2
SCHEMBL24855364 0.90 IL1B (0.51) IL1BNLRP3KCNH2LATS1LATS2
SCHEMBL29180720 0.90 IL1B (0.51) IL1BNLRP3KCNH2LATS1LATS2
SCHEMBL30771847 0.90 IL1B (0.51) IL1BNLRP3KCNH2LATS1LATS2
SCHEMBL30771829 0.90 IL1B (0.51) IL1BNLRP3KCNH2LATS1LATS2
SCHEMBL24855769 0.90 IL1B (0.51) IL1BNLRP3KCNH2LATS1LATS2
SCHEMBL30214908 0.90 IL1B (0.51) IL1BNLRP3KCNH2LATS1LATS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642772-A1 NLRP3 INFLAMMASOME INHIBITORS Astrazeneca AB (SE) 2025-11-05 EP claimed
WO-2024141535-A1 NLRP3 INFLAMMASOME INHIBITORS ASTRAZENECA AB (SE) 2024-07-04 WO claimed
EP-4642772-A1 NLRP3 INFLAMMASOME INHIBITORS Astrazeneca AB (SE) 2025-11-05 EP disclosed
WO-2024141535-A1 NLRP3 INFLAMMASOME INHIBITORS ASTRAZENECA AB (SE) 2024-07-04 WO disclosed