SCHEMBL7205144

SCHEMBL7205144

CCCOc1nc(N)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
TLR7 Q9NYK1 13/20 0.56
ADORA2A P29274 2/20 0.55
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
TMIGD3 P0DMS9 1/20 0.52
ADORA1 P30542 1/20 0.52
PNP P00491 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
YTHDC1 Q96MU7 1/20 0.50

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
SCHEMBL7204649 0.94 TLR7 (0.64) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL7211348 0.93 TLR7 (0.60) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL7210234 0.90 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL7211099 0.90 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL509407 0.89 TLR7 (0.64) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL7212572 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL7208702 0.88 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL4133313 0.87 TLR7 (0.57) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL7204698 0.87 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL21076558 0.86 TLR7 (0.57) PDE4APDE4BPDE4CPDE4DTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4278675-A ADMINISTERING 9-CYCLOHEXYL-9H-ADENINE OR 9-BENZYL-2-N-PROPOXY-9H-ADENINE BRISTOL-MYERS COMPANY (US) 1981-07-14 US claimed
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
US-4278675-A ADMINISTERING 9-CYCLOHEXYL-9H-ADENINE OR 9-BENZYL-2-N-PROPOXY-9H-ADENINE BRISTOL-MYERS COMPANY (US) 1981-07-14 US disclosed
US-4278675-A ADMINISTERING 9-CYCLOHEXYL-9H-ADENINE OR 9-BENZYL-2-N-PROPOXY-9H-ADENINE BRISTOL-MYERS COMPANY (US) 1981-07-14 US disclosed