SCHEMBL24933225

SCHEMBL24933225

CC(C)(C)OC(=O)N1CCOC(COc2ccc(Br)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.58
PDK1 Q15118 3/20 0.52
ERBB2 P04626 1/20 0.47
EPHB4 P54760 1/20 0.47
P2RX3 P56373 3/20 0.45
P2RX2 Q9UBL9 3/20 0.45
EPHX2 P34913 1/20 0.44
DRD4 P21917 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
RORC P51449 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL1852171 0.88 PDK1 (0.51) EPHA2PDK1ERBB2EPHB4P2RX3
SCHEMBL13984639 0.87 EPHA2 (0.50) EPHA2PDK1ERBB2EPHB4P2RX3
SCHEMBL1848811 0.87 EPHA2 (0.50) EPHA2PDK1ERBB2EPHB4P2RX3
SCHEMBL12661155 0.86 PDK1 (0.49) EPHA2PDK1ERBB2EPHB4P2RX3
SCHEMBL31712327 0.85 EPHX2 (0.52) EPHA2PDK1ERBB2EPHB4P2RX3
SCHEMBL13984286 0.85 PDK1 (0.48) EPHA2PDK1ERBB2EPHB4P2RX3
SCHEMBL30915187 0.85 EPHX2 (0.52) EPHA2PDK1ERBB2EPHB4P2RX3
SCHEMBL24933231 0.85 PDK1 (0.57) EPHA2PDK1EPHX2DRD4HRH3
SCHEMBL21069485 0.85 EPHA2 (0.52) EPHA2PDK1ERBB2EPHB4P2RX3
SCHEMBL12661156 0.84 EPHA2 (0.48) EPHA2PDK1ERBB2EPHB4P2RX3

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 4 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 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