SCHEMBL3963350

SCHEMBL3963350

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

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 3/20 0.51
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
CNR2 P34972 1/20 0.44
PDE8A O60658 1/20 0.43
ACP1 P24666 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
SCHEMBL7208530 0.90 PDE4A (0.55) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL3952614 0.89 ADORA2A (0.49) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL3959403 0.88 PDE4A (0.47) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3963832 0.87 PDE4A (0.43) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL7205445 0.86 PDE4A (0.54) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL3959850 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE8A
SCHEMBL3957510 0.86 YTHDC1 (0.51) YTHDC1ADORA2AADORA1PDE4APDE4B
SCHEMBL3957656 0.86 ADORA2A (0.52) YTHDC1ADORA2AADORA1PDE4APDE4B
SCHEMBL4057371 0.85 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL3956047 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D

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