SCHEMBL24933656

SCHEMBL24933656

CN1CCCC(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 6/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
PARP10 Q53GL7 5/20 0.41
PARP15 Q460N3 4/20 0.41
PARP2 Q9UGN5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL24933789 0.90 CHEK2 (0.42) CHEK2MAOAMAOBPARP10PARP15
SCHEMBL24933356 0.89 PARP10 (0.52) CHEK2MAOBPARP10PARP15PARP2
SCHEMBL24933633 0.88 PARP10 (0.53) CHEK2MAOAMAOBPARP10PARP15
SCHEMBL24933404 0.87 CHRNB4 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29203336 0.85 CHEK2 (0.52) CHEK2IRAK4PARP10PARP15PARP2
SCHEMBL24933399 0.84 CHEK2 (0.52) CHEK2
SCHEMBL24933470 0.83 XDH (0.44) CHEK2IRAK4PARP10PARP15PARP2
SCHEMBL24932946 0.83 XDH (0.42) CHEK2IRAK4PARP10PARP15PARP2
SCHEMBL24933724 0.81 IRAK4 (0.45) IRAK4
SCHEMBL24933589 0.81 XDH (0.49) CHEK2IRAK4PARP10PARP15PARP2

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