SCHEMBL24933826

SCHEMBL24933826

CN1[C@@H](COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)COC[C@@H]1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 7/20 0.35
HSD17B1 P14061 6/20 0.35
WDR5 P61964 2/20 0.33
MOGAT2 Q3SYC2 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
CHEK2 O96017 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL30240709 1.00 HSD17B2 (0.35) HSD17B2HSD17B1WDR5MOGAT2PRKAB2
SCHEMBL24933550 0.89 HSD17B2 (0.37) HSD17B2HSD17B1WDR5MOGAT2PRKAB2
SCHEMBL24933377 0.88 HSD17B2 (0.36) HSD17B2HSD17B1WDR5MOGAT2PRKAB2
SCHEMBL24933705 0.86 P2RX3 (0.39) HSD17B2HSD17B1TBK1FPR2SCN9A
SCHEMBL24933257 0.86 P2RX3 (0.39) HSD17B2HSD17B1TBK1FPR2SCN9A
SCHEMBL24933702 0.85 CHRNB1 (0.33)
SCHEMBL24933258 0.85 FPR2 (0.36) HSD17B2HSD17B1PRKAB2PRKAG1PRKAA2
SCHEMBL24933011 0.84 P2RX3 (0.39) HSD17B2HSD17B1WDR5MOGAT2PRKAB2
SCHEMBL24933854 0.84 FPR2 (0.37) HSD17B2HSD17B1TBK1FPR2SCN9A
SCHEMBL24933004 0.83 IRAK4 (0.44) HSD17B2HSD17B1WDR5SCN9APARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP claimed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN claimed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO claimed
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed