SCHEMBL24933739

SCHEMBL24933739

CC(C)SN1CCOC(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 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
HRH3 Q9Y5N1 2/20 0.35
PDK1 Q15118 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
P2RX3 P56373 4/20 0.33
P2RX2 Q9UBL9 4/20 0.33
FFAR1 O14842 1/20 0.33
DRD4 P21917 3/20 0.33
EPHX2 P34913 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
GRM2 Q14416 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
SCHEMBL24932963 0.96 PDK1 (0.34) IRAK4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24933835 0.86 PDK1 (0.40) IRAK4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24933738 0.85 ACLY (0.38) IRAK4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24933560 0.84 P2RX3 (0.41) HRH3P2RX3P2RX2FFAR1DRD4
SCHEMBL24933840 0.83 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29203334 0.83 LMNA (0.36) IRAK4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24932993 0.83 DRD4 (0.39) HRH3DRD4GRM2
SCHEMBL24933831 0.83 P2RX3 (0.42) PDK1P2RX3P2RX2
SCHEMBL24933681 0.83 DRD4 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL24933581 0.82 PRKAB2 (0.43) IRAK4PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed