SCHEMBL29935986

SCHEMBL29935986

COc1ccc(Cl)c(-c2cn(C)c(=O)c(Cl)c2-c2ccc(F)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
BRD4 O60885 5/20 0.36
GSK3B P49841 2/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
PRKCA P17252 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
AMY1A P0DUB6 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
SCHEMBL29936244 0.92 MAPK14 (0.39) MAPK14PDE2APDE10ABRD4GSK3B
SCHEMBL27093101 0.90 PDE2A (0.39) MAPK14PDE2APDE10ABRD4GSK3B
SCHEMBL29936288 0.89 MAPK14 (0.37) MAPK14BRD4GSK3BIDO1TDO2
SCHEMBL29936000 0.86 MAPK14 (0.39) MAPK14BRD4
SCHEMBL27093099 0.85 MAPK14 (0.39) MAPK14BRD4SCD
SCHEMBL29936217 0.84 MAPK14 (0.38) MAPK14BRD4
SCHEMBL27094647 0.82 PDE2A (0.40) MAPK14PDE2APDE10ABRD4GSK3B
SCHEMBL30708902 0.81 MAPK14 (0.38) MAPK14PDE2APDE10ABRD4GSK3B
SCHEMBL29936083 0.79 MAPK14 (0.40) MAPK14BRD4GSK3BPRKCABRD2
SCHEMBL29936492 0.77 BRD4 (0.40) MAPK14BRD4GSK3BPRKCABRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323342-A1 FUNGICIDAL PYRIDONES FMC CORPORATION (US) 2024-02-21 EP claimed
CN-117203188-A Fungicidal pyridones FMC公司 2023-12-08 CN claimed
WO-2022221165-A1 FUNGICIDAL PYRIDONES FMC CORPORATION (US) 2022-10-20 WO claimed
EP-4323342-A1 FUNGICIDAL PYRIDONES FMC CORPORATION (US) 2024-02-21 EP disclosed
CN-117203188-A Fungicidal pyridones FMC公司 2023-12-08 CN disclosed
WO-2022221165-A1 FUNGICIDAL PYRIDONES FMC CORPORATION (US) 2022-10-20 WO disclosed