SCHEMBL6153383

SCHEMBL6153383

CCCCCc1nc(N)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
ADORA2A P29274 6/20 0.54
PI4KA P42356 1/20 0.54
PI4K2B Q8TCG2 1/20 0.54
PI4K2A Q9BTU6 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
TLR7 Q9NYK1 3/20 0.53
TMIGD3 P0DMS9 4/20 0.52
ADORA1 P30542 4/20 0.52
ADORA2B P29275 2/20 0.51
PNP P00491 1/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL6153440 0.99 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7491638 0.96 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL14305584 0.87 YTHDC1 (0.51) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL26628550 0.86 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23764021 0.85 ADORA2A (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23422306 0.85 ADORA2A (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23422141 0.84 ADORA2A (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23420269 0.83 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23764023 0.83 TLR7 (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27804178 0.82 PDE4A (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882727-B9 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2005-06-15 EP disclosed
EP-0882727-B1 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-12-01 EP disclosed
US-6028076-A FOR INDUCING .ALPHA.-INTERFERON IN A PATIENT HAVING HEPATITIS B OR C, BY ADMINISTERING PURINE DERIVATIVE JAPAN ENERGY CORPORATION (JP) 2000-02-22 US disclosed
EP-0882727-A1 NOVEL PURINE DERIVATIVES JAPAN ENERGY CORPORATION (JP) 1998-12-09 EP disclosed