SCHEMBL24933393

SCHEMBL24933393

NC(=O)c1cc(-c2ccc(OCC3COCC(=O)N3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.43
P2RX3 P56373 2/20 0.38
P2RX2 Q9UBL9 2/20 0.38
HSD17B1 P14061 3/20 0.35
HSD17B2 P37059 3/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PDK2 Q15119 3/20 0.33
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
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL24933737 0.86 IRAK4 (0.42) IRAK4HSD17B1HSD17B2ITGB3ITGA2B
SCHEMBL24933837 0.84 HSD17B1 (0.34) IRAK4HSD17B1HSD17B2ITGB3ITGA2B
SCHEMBL24933017 0.83 PRKAB2 (0.42) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL24933589 0.82 XDH (0.49) IRAK4HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL24933011 0.82 P2RX3 (0.39) IRAK4P2RX3P2RX2HSD17B1HSD17B2
SCHEMBL24932946 0.81 XDH (0.42) IRAK4HSD17B1HSD17B2PRKAB2PRKAG1
SCHEMBL24933551 0.81 GPR84 (0.42) P2RX3P2RX2HSD17B1HSD17B2PRKAB2
SCHEMBL30240888 0.81 GPR84 (0.42) P2RX3P2RX2HSD17B1HSD17B2PRKAB2
SCHEMBL24933313 0.81 PRKAB2 (0.35) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL30240749 0.81 PARP1 (0.41) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2

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