SCHEMBL3959345

SCHEMBL3959345

CCCCSc1nc(N)c2ncn(Cc3cc([N+](=O)[O-])ccc3Cl)c2n1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
P2RX3 P56373 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL3958830 0.90 SLC29A1 (0.42) SLC29A1ADORA3P2RX3
SCHEMBL3958986 0.88 HSP90AA1 (0.44) SLC29A1
SCHEMBL3962706 0.87 SLC29A1 (0.49) SLC29A1ADORA2AADORA1
SCHEMBL3958684 0.86 PDE8A (0.43) ADORA3P2RX3
SCHEMBL3955318 0.84 ADORA3 (0.42) ADORA3P2RX3
SCHEMBL3957037 0.84 ADORA2A (0.52) SLC29A1ADORA2AADORA1
SCHEMBL3960757 0.82 CNR2 (0.46) ADORA3ADORA2A
SCHEMBL3960833 0.82 SLC29A1 (0.40) SLC29A1ADORA3P2RX3
SCHEMBL3957933 0.80 HSP90AA1 (0.43) ADORA3
SCHEMBL3963832 0.80 PDE4A (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