SCHEMBL16494563

SCHEMBL16494563

Nc1nc(=O)c2[nH]cnc2n1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.52
ATAD2 Q6PL18 1/20 0.39
ADORA2A P29274 5/20 0.38
ADORA2B P29275 4/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
PIK3CD O00329 1/20 0.38
ALPL P05186 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL28633086 0.79 PNP (0.52) PNPATAD2ADORA2AADORA2BPDE4A
SCHEMBL48434 0.79 ATAD2 (0.54) PNPATAD2ADORA2AADORA2BPDE4A
SCHEMBL27628533 0.78 KDM4E (0.41) PNPLMNAMAPTALDH1A1
SCHEMBL29202432 0.76 PNP (0.50) PNPATAD2ADORA2AADORA2BPDE4A
SCHEMBL6035390 0.75 PNP (0.63) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL29203684 0.75 PNP (0.49) PNPATAD2ADORA2AADORA2BPDE4A
SCHEMBL29015263 0.74 ADORA2A (0.61) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL2983851 0.74 PNP (0.49) PNPATAD2ADORA2AADORA2BPDE4A
SCHEMBL16494562 0.74 PNP (0.35) PNP
Water SCHEMBL9697811 0.72 PNP (0.47) PNPATAD2ADORA2AADORA2BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271653-B1 NOVEL METHOD FOR PREPARING OLIGONUCLEOTIDES COMPRISING A 5' -PHOSPHATE MONOESTER OR 5' -THIOPHOSPHATE MONOESTER END UNIV JOSEPH FOURIER (FR) 2011-12-07 EP claimed
CN-119157980-A Traditional Chinese medicine composition for treating plantar wart and preparation method thereof 陕西省中医医院 2024-12-20 CN disclosed