SCHEMBL24933386

SCHEMBL24933386

NC(=O)c1cc(-c2ccc(OCc3ccncc3F)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
HSD17B1 P14061 4/20 0.38
HSD17B2 P37059 4/20 0.38
GYS1 P13807 4/20 0.38
CYP11B2 P19099 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
PARP10 Q53GL7 3/20 0.36
PARP15 Q460N3 2/20 0.36
MAOB P27338 2/20 0.36
PARP14 Q460N5 2/20 0.36
DHODH Q02127 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
ORAI1 Q96D31 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
SCHEMBL30240751 0.88 HSD17B1 (0.41) CDC7HSD17B1HSD17B2GYS1MAOB
SCHEMBL24933735 0.88 HSD17B1 (0.41) CDC7HSD17B1HSD17B2GYS1MAOB
SCHEMBL30240711 0.87 SYK (0.42) HSD17B1HSD17B2PARP10DHODHCDK5
SCHEMBL24933796 0.87 SYK (0.42) HSD17B1HSD17B2PARP10DHODHCDK5
SCHEMBL30240731 0.86 PARP10 (0.41) CDC7HSD17B1HSD17B2GYS1PARP10
SCHEMBL24933028 0.86 PARP10 (0.41) CDC7HSD17B1HSD17B2GYS1PARP10
SCHEMBL30240778 0.86 MKNK1 (0.43) HSD17B1HSD17B2GYS1CYP11B2CDK5
SCHEMBL24933882 0.86 MKNK1 (0.43) HSD17B1HSD17B2GYS1CYP11B2CDK5
SCHEMBL24933646 0.85 MAOB (0.44) CDC7HSD17B1HSD17B2PARP10MAOB
SCHEMBL24933607 0.85 HSD17B2 (0.39) HSD17B1HSD17B2CYP11B2CDK5CDK5R1

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