SCHEMBL3963832

SCHEMBL3963832

CCCCSc1nc(N)c2ncn(Cc3ccc(Cl)c(Cl)c3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CTSL P07711 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
YTHDC1 Q96MU7 1/20 0.40
PDE8A O60658 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
UBE2N P61088 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3959850 0.91 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3963350 0.87 YTHDC1 (0.51) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL3960150 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL7208530 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3956047 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3958684 0.85 PDE8A (0.43) ADORA3YTHDC1PDE8A
SCHEMBL3957713 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3957984 0.84 ADORA3 (0.42) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3952614 0.84 ADORA2A (0.49) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL3958919 0.83 ADORA2A (0.46) ADORA3LMNASMN1; SMN2

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