SCHEMBL3960150

SCHEMBL3960150

CCCCSc1nc(N)c2ncn(Cc3ccc(F)cc3)c2n1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ADORA3 P0DMS8 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
SCHEMBL3963402 0.89 ADORA3 (0.43) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL7208530 0.89 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3956047 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3959850 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3959403 0.88 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3957713 0.87 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3963832 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3957984 0.86 ADORA3 (0.42) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL3955318 0.86 ADORA3 (0.42) ADORA3
SCHEMBL3954593 0.86 CNR2 (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