SCHEMBL30101864

SCHEMBL30101864

CC(CO)c1nc2c(-c3cccnc3)nc(-c3ccc(OC(F)(F)F)cc3)cc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.52
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
NPY5R Q15761 1/20 0.41
PPARD Q03181 2/20 0.40
CBFB Q13951 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
ABL1 P00519 5/20 0.37
OPRM1 P35372 1/20 0.37
KCNH2 Q12809 1/20 0.37
DAGLB Q8NCG7 2/20 0.36
DAGLA Q9Y4D2 2/20 0.36
CHRM5 P08912 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL30101909 0.89 AHR (0.39) AHRCYP11B1CYP11B2NPY5RKCNH2
SCHEMBL30101836 0.85 TRPV3 (0.39) AHRKCNH2
SCHEMBL31472805 0.81 PIM1 (0.39) NPY5RKCNH2SCN9A
SCHEMBL30101858 0.80 AHR (0.38) AHRCYP11B1CYP11B2NPY5RKCNH2
SCHEMBL30101887 0.80 PIM1 (0.39) AHRCYP11B1CYP11B2NPY5RKCNH2
SCHEMBL31472804 0.79 PIM1 (0.37) AHRCYP11B1CYP11B2NPY5RKCNH2
SCHEMBL23390533 0.78 AHR (0.51) AHRCYP11B1CYP11B2NPY5RPPARD
SCHEMBL30102027 0.78 AHR (0.51) AHRCYP11B1CYP11B2NPY5RPPARD
SCHEMBL23390535 0.78 AHR (0.51) AHRCYP11B1CYP11B2NPY5RPPARD
SCHEMBL31472807 0.78 NPY5R (0.40) NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 CN claimed
CN-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 CN disclosed
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 CN disclosed