SCHEMBL30101909

SCHEMBL30101909

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
PIM1 P11309 1/20 0.38
NPY5R Q15761 1/20 0.38
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TOP1 P11387 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE2A O00408 1/20 0.37
TNKS O95271 3/20 0.36
TNKS2 Q9H2K2 3/20 0.36
PARP2 Q9UGN5 2/20 0.36
PARP1 P09874 1/20 0.36
KIT P10721 2/20 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
SCHEMBL31472805 0.92 PIM1 (0.39) PIM1NPY5RDGAT1KCNH2PTGS1
SCHEMBL30101858 0.91 AHR (0.38) AHRPIM1NPY5RDGAT1KCNH2
SCHEMBL30101887 0.91 PIM1 (0.39) AHRPIM1NPY5RDGAT1KCNH2
SCHEMBL30101836 0.90 TRPV3 (0.39) AHRKCNH2PTGS1PTGS2
SCHEMBL31472804 0.90 PIM1 (0.37) AHRPIM1NPY5RDGAT1KCNH2
SCHEMBL30101864 0.89 AHR (0.52) AHRNPY5RKCNH2CYP11B1CYP11B2
SCHEMBL30101960 0.84 PIM1 (0.37) AHRPIM1NPY5RDGAT1KCNH2
SCHEMBL30101831 0.84 NPBWR1 (0.40) PDE2ATNKSTNKS2PARP2PARP1
SCHEMBL31472815 0.82 NPBWR1 (0.40) PDE2ATNKSTNKS2PARP2
SCHEMBL30101920 0.82 PIM1 (0.38) PIM1NPY5RDGAT1KCNH2PTGS1

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