SCHEMBL25857264

SCHEMBL25857264

CNc1nnc(O)c2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 0.41
KAT2B Q92831 2/20 0.37
EP300 Q09472 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
FLT1 P17948 3/20 0.37
KDR P35968 3/20 0.37
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
KDM5A P29375 2/20 0.33
ALDH1A1 P00352 1/20 0.33
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3690210 0.80 EP300 (0.47) KAT2BEP300KAT8KDM4EMAPKAPK2
SCHEMBL25857309 0.79 FLT1 (0.43) LATS1LATS2FLT1KDRKDM4E
SCHEMBL11293218 0.72 EP300 (0.40) KAT2BEP300KAT8KDM4EMAPKAPK2
SCHEMBL31197276 0.72 EP300 (0.40) KAT2BEP300KAT8FLT1KDR
SCHEMBL30994952 0.72 AXL (0.40) KAT2BEP300KAT8KDM4EMAPKAPK2
SCHEMBL25254434 0.72 EP300 (0.40) KAT2BEP300KAT8FLT1KDR
SCHEMBL29276232 0.72 AXL (0.40) KAT2BEP300KAT8KDM4EMAPKAPK2
SCHEMBL25857289 0.69 LATS1 (0.41) LATS1LATS2KDRKDM4EALDH1A1
SCHEMBL24855963 0.68 KDR (0.39) LATS1LATS2KDRALDH1A1CYP1A2
SCHEMBL31197257 0.68 PRKCZ (0.54) CSNK2A1

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