SCHEMBL3962755

SCHEMBL3962755

CCCCSc1nc(N)c2ncn(Cc3cc(OC)cc(OC)c3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE8A O60658 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
P2RX3 P56373 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL3957656 0.90 ADORA2A (0.52) PDE8AHSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL3963480 0.86 ADORA3 (0.44) ADORA3P2RX3
SCHEMBL3963402 0.85 ADORA3 (0.43) ADORA3
SCHEMBL7208530 0.83 PDE4A (0.55) ADORA3ADORA2AADORA1
SCHEMBL3960150 0.81 PDE4A (0.45) ADORA3
SCHEMBL3956047 0.80 PDE4A (0.43) ADORA3
SCHEMBL3952614 0.80 ADORA2A (0.49) ADORA3ADORA2AADORA1
SCHEMBL3963832 0.80 PDE4A (0.43) PDE8AADORA3
SCHEMBL7205445 0.80 PDE4A (0.54) ADORA3ADORA2AADORA1
SCHEMBL3963204 0.80 ADORA2A (0.52) ADORA3ADORA2AADORA1

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