SCHEMBL3963480

SCHEMBL3963480

CCCCSc1nc(N)c2ncn(Cc3cc(C)cc(C)c3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
P2RX3 P56373 1/20 0.40

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
SCHEMBL3952614 0.89 ADORA2A (0.49) ADORA3
SCHEMBL3963402 0.88 ADORA3 (0.43) ADORA3
SCHEMBL3962755 0.86 PDE8A (0.44) ADORA3P2RX3
SCHEMBL7208530 0.85 PDE4A (0.55) ADORA3
SCHEMBL3960150 0.83 PDE4A (0.45) ADORA3
SCHEMBL3957713 0.83 PDE4A (0.41) ADORA3
SCHEMBL3956047 0.83 PDE4A (0.43) ADORA3
SCHEMBL3963832 0.83 PDE4A (0.43) ADORA3
SCHEMBL7205445 0.82 PDE4A (0.54) ADORA3
SCHEMBL3963204 0.82 ADORA2A (0.52) ADORA3CDK1CCNB1CCNE1CDK2

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