SCHEMBL3963402

SCHEMBL3963402

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

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL3959403 0.90 PDE4A (0.47) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL3960150 0.89 PDE4A (0.45) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL3963480 0.88 ADORA3 (0.44) ADORA3
SCHEMBL3956047 0.86 PDE4A (0.43) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL3962755 0.85 PDE8A (0.44) ADORA3
SCHEMBL3957713 0.85 PDE4A (0.41) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL7208530 0.84 PDE4A (0.55) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL3959850 0.84 PDE4A (0.43) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL3956364 0.83 ADORA3 (0.43) ADORA3
SCHEMBL3954981 0.83 ADORA3 (0.43) ADORA3

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