SCHEMBL30102027

SCHEMBL30102027

CC(CO)n1cnc2c(-c3cccnc3)nc(-c3ccc(OC(F)(F)F)cc3)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.51
PPARD Q03181 2/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
NPY5R Q15761 1/20 0.38
CHRM5 P08912 2/20 0.37
ABL1 P00519 6/20 0.37
DYRK1A Q13627 1/20 0.37
DAGLB Q8NCG7 2/20 0.37
DAGLA Q9Y4D2 2/20 0.37

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
SCHEMBL23390535 1.00 AHR (0.51) AHRPPARDCYP11B1CYP11B2NPY5R
SCHEMBL23390533 1.00 AHR (0.51) AHRPPARDCYP11B1CYP11B2NPY5R
SCHEMBL23390134 0.91 AHR (0.41) AHRPPARDCYP11B1CYP11B2CHRM5
SCHEMBL23390137 0.91 AHR (0.41) AHRPPARDCYP11B1CYP11B2CHRM5
SCHEMBL30101937 0.89 EGLN1 (0.40) AHRCYP11B1CYP11B2NPY5R
SCHEMBL23390259 0.89 EGLN1 (0.40) AHRCYP11B1CYP11B2NPY5R
SCHEMBL23390257 0.89 EGLN1 (0.40) AHRCYP11B1CYP11B2NPY5R
SCHEMBL23390302 0.89 CYP2A6 (0.39)
SCHEMBL23390306 0.89 CYP2A6 (0.39)
SCHEMBL23390341 0.89 AHR (0.40) AHRPPARDABL1

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-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 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