SCHEMBL3960757

SCHEMBL3960757

CCCCSc1nc(N)c2ncn(Cc3ccccc3Cl)c2n1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
ADORA2A P29274 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
YTHDC1 Q96MU7 1/20 0.43
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL3955111 0.92 ADORA3 (0.41) CNR2YTHDC1ADORA3
SCHEMBL3958919 0.88 ADORA2A (0.46) ADORA2AADORA3
SCHEMBL3963292 0.88 PIK3CD (0.44) ADORA2AADORA3
SCHEMBL3958684 0.88 PDE8A (0.43) YTHDC1ADORA3
SCHEMBL3961113 0.88 PDE4A (0.49) ADORA2A
SCHEMBL7208530 0.87 PDE4A (0.55) ADORA2AADORA3
SCHEMBL3954593 0.86 CNR2 (0.43) CNR2ADORA3
SCHEMBL3955318 0.86 ADORA3 (0.42) ADORA3
SCHEMBL3964379 0.85 GAA (0.45) CNR2ADORA3
SCHEMBL7205445 0.84 PDE4A (0.54) ADORA2AADORA3

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