SCHEMBL30181079

SCHEMBL30181079

CC1(O)CC(Nc2nnc(-c3c(O)cccc3F)c3cccnc23)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.40
IL1B P01584 8/20 0.38
TNF P01375 2/20 0.38
KDM4E B2RXH2 7/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MPI P34949 1/20 0.37
KAT2B Q92831 2/20 0.34
SMO Q99835 1/20 0.34

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
SCHEMBL24855380 1.00 NLRP3 (0.40) NLRP3IL1BTNFKDM4EL3MBTL1
SCHEMBL29180688 0.86 NLRP3 (0.43) NLRP3IL1BTNFKDM4E
SCHEMBL30181221 0.86 NLRP3 (0.43) NLRP3IL1BTNFKDM4E
SCHEMBL24855484 0.86 NLRP3 (0.43) NLRP3IL1BTNFKDM4E
SCHEMBL26435326 0.82 IL1B (0.46) NLRP3IL1BTNFKDM4EL3MBTL1
SCHEMBL30180843 0.82 NLRP3 (0.40) NLRP3IL1BTNFKDM4ESMO
SCHEMBL24855763 0.82 NLRP3 (0.40) NLRP3IL1BTNFKDM4ESMO
SCHEMBL26435667 0.81 IL1B (0.48) NLRP3IL1BTNFKDM4EL3MBTL1
SCHEMBL26435640 0.81 IL1B (0.61) NLRP3IL1BTNF
SCHEMBL26435361 0.80 NLRP3 (0.46) NLRP3IL1BTNFKDM4EKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4363406-A1 NLRP3 INFLAMMASOME INHIBITORS Astrazeneca AB (SE) 2024-05-08 EP claimed
CN-117580826-A NLRP3 inflammation corpuscle inhibitor 阿斯利康(瑞典)有限公司 2024-02-20 CN claimed
WO-2023275366-A1 NLRP3 INFLAMMASOME INHIBITORS ASTRAZENECA AB (SE) 2023-01-05 WO claimed
EP-4363406-A1 NLRP3 INFLAMMASOME INHIBITORS Astrazeneca AB (SE) 2024-05-08 EP disclosed
CN-117580826-A NLRP3 inflammation corpuscle inhibitor 阿斯利康(瑞典)有限公司 2024-02-20 CN disclosed
WO-2023275366-A1 NLRP3 INFLAMMASOME INHIBITORS ASTRAZENECA AB (SE) 2023-01-05 WO disclosed