SCHEMBL7204004

SCHEMBL7204004

CC(CC(=O)O)Sc1nc(N)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ADORA2A P29274 6/20 0.48
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
PNP P00491 1/20 0.47
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
ADORA1 P30542 4/20 0.43
TMIGD3 P0DMS9 3/20 0.43
ADORA2B P29275 2/20 0.43

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
SCHEMBL7209269 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7205465 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7204400 0.80 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7205020 0.80 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7206475 0.79 PDE4D (0.56) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7211053 0.78 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7857141 0.78 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7204712 0.78 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7209247 0.77 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7206362 0.77 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DADORA2A

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
EP-1035123-B1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMA (JP) 2003-08-20 EP disclosed
US-6329381-B1 INTERFERONS, VIRICIDES AND ANTICARCINOGENIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1035123-A1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP disclosed