SCHEMBL3955307

SCHEMBL3955307

CCCCSc1nc(N)c2ncn(Cc3ccc(S(C)(=O)=O)cc3)c2n1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
GHSR Q92847 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL3960150 0.85 PDE4A (0.45) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL7208530 0.85 PDE4A (0.55) ADORA2AADORA1ADORA3PDE4APDE4B
SCHEMBL3962706 0.85 SLC29A1 (0.49) ADORA2AADORA1
SCHEMBL3963832 0.83 PDE4A (0.43) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL3957984 0.83 ADORA3 (0.42) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL7205445 0.82 PDE4A (0.54) ADORA2AADORA1ADORA3PDE4APDE4B
SCHEMBL3956047 0.81 PDE4A (0.43) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL3959850 0.80 PDE4A (0.43) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL3963480 0.80 ADORA3 (0.44) ADORA3
SCHEMBL3963350 0.80 YTHDC1 (0.51) 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