SCHEMBL3957656

SCHEMBL3957656

CCCCSc1nc(N)c2ncn(Cc3cccc(OC)c3)c2n1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
YTHDC1 Q96MU7 1/20 0.51
PDE8A O60658 1/20 0.46
TLR7 Q9NYK1 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
SLC29A1 Q99808 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 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
SCHEMBL3962755 0.90 PDE8A (0.44) ADORA2AADORA1PDE8AHSP90AA1HSP90AB1
SCHEMBL3952614 0.87 ADORA2A (0.49) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL3959403 0.86 PDE4A (0.47) YTHDC1SLC29A1PDE4APDE4BPDE4C
SCHEMBL3963350 0.86 YTHDC1 (0.51) ADORA2AADORA1YTHDC1PDE8APDE4A
SCHEMBL7208530 0.86 PDE4A (0.55) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL3957510 0.85 YTHDC1 (0.51) ADORA2AADORA1YTHDC1TLR7PDE4A
SCHEMBL3959394 0.84 YTHDC1 (0.55) ADORA2AADORA1YTHDC1TLR7
SCHEMBL3957037 0.84 ADORA2A (0.52) ADORA2AADORA1SLC29A1PDE4APDE4B
SCHEMBL4057371 0.84 PDE4A (0.52) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7205445 0.83 PDE4A (0.54) ADORA2AADORA1PDE4APDE4BPDE4C

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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO claimed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed