SCHEMBL29936288

SCHEMBL29936288

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.37
BRD4 O60885 5/20 0.35
GSK3B P49841 2/20 0.34
PRKCA P17252 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
AMY1A P0DUB6 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL29935986 0.89 MAPK14 (0.40) MAPK14BRD4GSK3BPRKCAAKR1A1
SCHEMBL27093095 0.88 MAPK14 (0.38) MAPK14BRD4GSK3BPRKCAGAA
SCHEMBL29936217 0.86 MAPK14 (0.38) MAPK14BRD4
SCHEMBL29936000 0.84 MAPK14 (0.39) MAPK14BRD4
SCHEMBL27093099 0.83 MAPK14 (0.39) MAPK14BRD4
SCHEMBL29936244 0.81 MAPK14 (0.39) MAPK14BRD4GSK3BPRKCAAKR1A1
SCHEMBL27093101 0.80 PDE2A (0.39) MAPK14BRD4GSK3BPRKCAAKR1A1
SCHEMBL17535882 0.77 AMY1A (0.46) MAPK14GAAMAPTL3MBTL1AKR1A1
SCHEMBL29936083 0.75 MAPK14 (0.40) MAPK14BRD4GSK3BPRKCA
SCHEMBL30708902 0.75 MAPK14 (0.38) MAPK14BRD4GSK3BPRKCAAKR1A1

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