SCHEMBL30101871

SCHEMBL30101871

O=c1[nH]c(C(CO)CO)nc2c(-c3cccnc3)nc(-c3ccc(N4CCOCC4)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 3/20 0.41
PIK3CD O00329 1/20 0.41
XDH P47989 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CG P48736 2/20 0.41
PIM1 P11309 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATR Q13535 2/20 0.41
SYK P43405 3/20 0.40
DYRK1A Q13627 2/20 0.40
ATRIP Q8WXE1 1/20 0.40
CLK1 P49759 1/20 0.40
JAK2 O60674 1/20 0.39
CLK2 P49760 1/20 0.39

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
SCHEMBL30101980 0.87 PIK3CB (0.40) PIK3CBPIK3CDXDHPIK3CAPIK3CG
SCHEMBL30101887 0.81 PIM1 (0.39) PIM1MAPTL3MBTL1
SCHEMBL31472809 0.81 PIK3CA (0.48) PIK3CBPIK3CDXDHPIK3CAPIK3CG
SCHEMBL31472806 0.80 XDH (0.41) PIK3CBPIK3CDXDHPIK3CAPIK3CG
SCHEMBL30101911 0.80 JAK2 (0.40) PIK3CBXDHPIK3CAPIK3CGPIM1
SCHEMBL23950547 0.79 SYK (0.43) PIK3CBPIK3CAPIK3CGPIM1KDM4E
SCHEMBL30102003 0.78 TNKS (0.39) PIM1SYKDYRK1ACLK1CLK2
SCHEMBL23950297 0.78 ATR (0.44) PIK3CBPIK3CAPIK3CGPIM1KDM4E
SCHEMBL23925427 0.77 SYK (0.44) PIK3CBPIK3CAPIK3CGPIM1KDM4E
SCHEMBL31472804 0.77 PIM1 (0.37) PIM1KDM4EALDH1A1MAPTHPGD

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