SCHEMBL29611147

SCHEMBL29611147

C[C@@H](CO)n1cnc2c(-c3cccc(F)c3)nc(-c3ccc(Cl)cc3)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
ADORA1 P30542 2/20 0.38
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
KDM5B Q9UGL1 1/20 0.36
AKR1B10 O60218 2/20 0.36
MALT1 Q9UDY8 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
PDE4B Q07343 1/20 0.34
SLC2A1 P11166 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TGFBR1 P36897 1/20 0.33
EIF4EBP1 Q13541 1/20 0.33

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
SCHEMBL23390464 1.00 AHR (0.42) AHRADORA1PDE4APDE4CPDE4D
SCHEMBL23390466 1.00 AHR (0.42) AHRADORA1PDE4APDE4CPDE4D
SCHEMBL23390369 0.92 KDM5B (0.37) AHRADORA1PDE4APDE4CPDE4D
SCHEMBL23390366 0.92 KDM5B (0.37) AHRADORA1PDE4APDE4CPDE4D
SCHEMBL29611427 0.91 AHR (0.41) AHRADORA1PDE4APDE4CPDE4D
SCHEMBL23390386 0.91 AHR (0.41) AHRADORA1PDE4APDE4CPDE4D
SCHEMBL23390388 0.91 AHR (0.41) AHRADORA1PDE4APDE4CPDE4D
SCHEMBL23950286 0.89 AHR (0.41) AHRADORA1PDE4APDE4CPDE4D
SCHEMBL26275433 0.89 PIK3CA (0.41) ADORA1PDE4APDE4CPDE4DKDM5B
SCHEMBL23390191 0.88 KDM5B (0.39) AHRADORA1PDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397512-B As AHR antagonists Pyridopyrimidinone derivatives 先达生物科技公司 2024-12-17 CN claimed
CN-115397512-A Pyridopyrimidinone derivatives as AHR antagonists 先达生物科技公司 2022-11-25 CN claimed
EP-4061484-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS Senda Biosciences, Inc. (US) 2022-09-28 EP claimed
CN-115397512-B As AHR antagonists Pyridopyrimidinone derivatives 先达生物科技公司 2024-12-17 CN disclosed
CN-116745622-A Biomarkers related to immune checkpoint inhibitor therapies and methods of use thereof 先达生物科技公司 2023-09-12 CN disclosed
EP-4228649-A1 BIOMARKERS RELATED TO IMMUNE CHECKPOINT INHIBITOR THERAPY AND METHODS OF USING THE SAME Senda Biosciences, Inc. (US) 2023-08-23 EP disclosed
CN-115397512-A Pyridopyrimidinone derivatives as AHR antagonists 先达生物科技公司 2022-11-25 CN disclosed
EP-4061484-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS Senda Biosciences, Inc. (US) 2022-09-28 EP disclosed
WO-2022081649-A1 BIOMARKERS RELATED TO IMMUNE CHECKPOINT INHIBITOR THERAPY AND METHODS OF USING THE SAME SENDA BIOSCIENCES, INC. (US) 2022-04-21 WO disclosed