SCHEMBL3957915

SCHEMBL3957915

CCCCSc1nc(N)c2ncn(Cc3c(F)ccc(C)c3F)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL30464118 0.89 ADORA3 (0.41) ADORA3
SCHEMBL3960040 0.89 ADORA3 (0.41) ADORA3
SCHEMBL3958906 0.89 ADORA2A (0.46) ADORA3
SCHEMBL28643019 0.85 ADORA2A (0.39)
SCHEMBL3962765 0.85 PIK3CD (0.41) ADORA3
SCHEMBL3957713 0.85 PDE4A (0.41) ADORA3
SCHEMBL29385930 0.85 CTSL (0.39)
SCHEMBL3965724 0.85 CTSL (0.39)
SCHEMBL3956047 0.83 PDE4A (0.43) ADORA3
SCHEMBL3955983 0.83 PDE4A (0.41) 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