SCHEMBL29610477

SCHEMBL29610477

O=c1c2cc(-c3cccnc3)nc(-c3cccnc3)c2ncn1CC(O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
DHPS P49366 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CLK2 P49760 3/20 0.37
CLK3 P49761 3/20 0.37
DYRK1A Q13627 3/20 0.37
PIM1 P11309 2/20 0.36
WNT1 P04628 2/20 0.36
TGFBR1 P36897 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
AHR P35869 1/20 0.35
CYP2E1 P05181 2/20 0.35
CYP2A6 P11509 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2B6 P20813 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL23390442 1.00 GRM2 (0.37) GRM2DHPSPDE4APDE4CPDE4D
SCHEMBL26276312 1.00 GRM2 (0.37) GRM2DHPSPDE4APDE4CPDE4D
SCHEMBL23390145 0.94 PSD (0.40) GRM2DHPSPDE4APDE4CPDE4D
SCHEMBL30102064 0.94 PIM1 (0.37) GRM2DHPSPIM1ADORA2AADORA1
SCHEMBL26275469 0.94 GRM2 (0.38) GRM2DHPSPDE4APDE4CPDE4D
SCHEMBL23951123 0.94 PIM1 (0.37) GRM2DHPSPIM1ADORA2AADORA1
SCHEMBL23390256 0.94 PSD (0.40) GRM2DHPSPDE4APDE4CPDE4D
SCHEMBL23390147 0.94 PSD (0.40) GRM2DHPSPDE4APDE4CPDE4D
SCHEMBL29611439 0.94 PSD (0.40) GRM2DHPSPDE4APDE4CPDE4D
SCHEMBL26277141 0.94 PSD (0.40) GRM2DHPSPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4061484-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS Senda Biosciences, Inc. (US) 2022-09-28 EP claimed
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
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