SCHEMBL4172230

SCHEMBL4172230

Nc1nc(Cl)nc2c1ncn2Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.64
PDE4B Q07343 1/20 0.64
PDE4C Q08493 1/20 0.64
PDE4D Q08499 1/20 0.64
PDE8A O60658 9/20 0.54
YTHDC1 Q96MU7 7/20 0.51
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
HDAC6 Q9UBN7 1/20 0.48
NT5E P21589 1/20 0.47

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
SCHEMBL4234771 0.90 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE8A
SCHEMBL2060472 0.83 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE8A
SCHEMBL7744345 0.82 PDE8A (0.57) PDE4APDE4BPDE4CPDE4DPDE8A
SCHEMBL3919969 0.82 YTHDC1 (0.70) PDE4APDE4BPDE4CPDE4DPDE8A
SCHEMBL4236128 0.81 YTHDC1 (0.71) PDE4APDE4BPDE4CPDE4DPDE8A
SCHEMBL3957881 0.80 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL3959301 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE8A
SCHEMBL4057371 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL5466476 0.79 YTHDC1 (0.55) PDE4APDE4BPDE4CPDE4DPDE8A
SCHEMBL3959347 0.78 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE8A

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 disclosed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed