SCHEMBL24933550

SCHEMBL24933550

C[C@H]1COCC(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)N1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 8/20 0.37
HSD17B1 P14061 7/20 0.37
WDR5 P61964 5/20 0.35
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
FFAR4 Q5NUL3 3/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
FFAR1 O14842 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
SCHEMBL24933377 0.90 HSD17B2 (0.36) HSD17B2HSD17B1WDR5PRKAB2PRKAG1
SCHEMBL24933826 0.89 HSD17B2 (0.35) HSD17B2HSD17B1WDR5PRKAB2PRKAG1
SCHEMBL30240709 0.89 HSD17B2 (0.35) HSD17B2HSD17B1WDR5PRKAB2PRKAG1
SCHEMBL24933011 0.86 P2RX3 (0.39) HSD17B2HSD17B1WDR5PRKAB2PRKAG1
SCHEMBL24933257 0.86 P2RX3 (0.39) HSD17B2HSD17B1IRAK4
SCHEMBL24933705 0.86 P2RX3 (0.39) HSD17B2HSD17B1IRAK4
SCHEMBL24933004 0.85 IRAK4 (0.44) HSD17B2HSD17B1WDR5IRAK4FFAR4
SCHEMBL24933220 0.85 HSD17B2 (0.36) HSD17B2HSD17B1WDR5PRKAB2PRKAG1
SCHEMBL24933246 0.85 HSD17B2 (0.36) HSD17B2HSD17B1WDR5PRKAB2PRKAG1
SCHEMBL24933854 0.84 FPR2 (0.37) HSD17B2HSD17B1IRAK4

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