SCHEMBL24933797

SCHEMBL24933797

CN(C)Cc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.44
CHUK O15111 2/20 0.43
INSR P06213 2/20 0.43
MAPK8 P45983 2/20 0.43
CAMKK2 Q96RR4 2/20 0.43
MAP2 P11137 1/20 0.41
TTK P33981 2/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
HSD17B1 P14061 4/20 0.39
HSD17B2 P37059 4/20 0.39
TNKS O95271 4/20 0.39
NEK2 P51955 2/20 0.39
PLK1 P53350 2/20 0.39
AURKA O14965 1/20 0.39
CDK2 P24941 1/20 0.39
PARP2 Q9UGN5 1/20 0.37
LSS P48449 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL24933771 0.87 IKBKB (0.42) PARP1CHUKHSD17B1HSD17B2
SCHEMBL24933623 0.84 PARP1 (0.44) PARP1HSD17B1HSD17B2HRH3
SCHEMBL24933189 0.84 HSD17B1 (0.39) PARP1MAPK8HSD17B1HSD17B2
SCHEMBL24933359 0.83 HSD17B2 (0.50) HSD17B1HSD17B2
SCHEMBL24933350 0.81 RXRA (0.37) CHUKMAPK8HSD17B1HSD17B2
SCHEMBL24933312 0.81 BTK (0.42) CHUKMAPK8AURKBHSD17B1HSD17B2
SCHEMBL24933605 0.81 HSD17B2 (0.41) PARP1HSD17B1HSD17B2
SCHEMBL24933209 0.81 HSD17B1 (0.39) PARP1MAPK8HSD17B1HSD17B2PARP2
SCHEMBL24933339 0.80 HSD17B1 (0.41) PARP1HSD17B1HSD17B2
SCHEMBL24932950 0.80 HSD17B2 (0.52) PARP1CHUKHSD17B1HSD17B2CDK2

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