SCHEMBL3958684

SCHEMBL3958684

CCCCSc1nc(N)c2ncn(Cc3cc(Cl)ccc3Cl)c2n1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE8A O60658 2/20 0.43
ADORA3 P0DMS8 1/20 0.41
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
YTHDC1 Q96MU7 1/20 0.39
P2RX3 P56373 1/20 0.39

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
SCHEMBL3958861 0.91 PDE8A (0.43) PDE8AADORA3YTHDC1
SCHEMBL3955318 0.90 ADORA3 (0.42) ADORA3P2RX3
SCHEMBL3956271 0.88 HDAC6 (0.42) PDE8AADORA3TP53CYP1A2CYP3A4
SCHEMBL3960757 0.88 CNR2 (0.46) ADORA3YTHDC1
SCHEMBL3959345 0.86 SLC29A1 (0.38) ADORA3P2RX3
SCHEMBL3963832 0.85 PDE4A (0.43) PDE8AADORA3YTHDC1
SCHEMBL3954593 0.84 CNR2 (0.43) ADORA3
SCHEMBL3964659 0.84 ADORA3 (0.39) PDE8AADORA3
SCHEMBL3963350 0.84 YTHDC1 (0.51) PDE8AYTHDC1
SCHEMBL3955111 0.84 ADORA3 (0.41) PDE8AADORA3YTHDC1

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