SCHEMBL7211348

SCHEMBL7211348

CCCCCOc1nc(N)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.60
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
ADORA2A P29274 1/20 0.53
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53

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 0.96 TLR7 (0.64) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7205144 0.93 PDE4A (0.58) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL4133313 0.89 TLR7 (0.57) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7212572 0.89 PDE4A (0.54) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7209218 0.88 PDE4A (0.56) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7210234 0.88 PDE4A (0.60) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7211099 0.87 PDE4A (0.55) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL509407 0.87 TLR7 (0.64) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7204698 0.87 PDE4A (0.57) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7208702 0.86 PDE4A (0.58) TLR7PDE4APDE4BPDE4CPDE4D

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