SCHEMBL3955974

SCHEMBL3955974

CCCCSc1nc(N)c2ncn(C(O)Cc3c(F)cccc3F)c2n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
P2RX3 P56373 1/20 0.38

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
SCHEMBL3955978 0.83 ADORA3 (0.44) ADORA3P2RX3
SCHEMBL3958906 0.81 ADORA2A (0.46) ADORA3
SCHEMBL3965027 0.79 ADORA3 (0.42) ADORA3P2RX3
SCHEMBL3958765 0.77 ADORA3 (0.43) ADORA3P2RX3
SCHEMBL3955983 0.76 PDE4A (0.41) ADORA3
SCHEMBL3961113 0.74 PDE4A (0.49)
SCHEMBL3957915 0.73 ADORA3 (0.41) ADORA3
SCHEMBL3960040 0.72 ADORA3 (0.41) ADORA3
SCHEMBL30464118 0.72 ADORA3 (0.41) ADORA3
SCHEMBL22580552 0.72 ADORA3 (0.51) ADORA3P2RX3

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 3 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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed