SCHEMBL3962765

SCHEMBL3962765

CCCCSc1nc(N)c2ncn(Cc3cccc(C)c3F)c2n1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL3963292 0.90 PIK3CD (0.44) PIK3CDADORA3
SCHEMBL3961113 0.87 PDE4A (0.49)
SCHEMBL3957915 0.85 ADORA3 (0.41) ADORA3
SCHEMBL3958906 0.84 ADORA2A (0.46) ADORA3
SCHEMBL3955111 0.83 ADORA3 (0.41) PIK3CDADORA3
SCHEMBL3960757 0.83 CNR2 (0.46) ADORA3
SCHEMBL3959403 0.81 PDE4A (0.47) ADORA3
SCHEMBL3956364 0.81 ADORA3 (0.43) ADORA3
SCHEMBL3954981 0.81 ADORA3 (0.43) ADORA3
SCHEMBL3960150 0.81 PDE4A (0.45) 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