SCHEMBL3962706

SCHEMBL3962706

CCCCSc1nc(N)c2ncn(Cc3ccc([N+](=O)[O-])cc3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 8/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48

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
SCHEMBL3957037 0.89 ADORA2A (0.52) SLC29A1MEN1KMT2AADORA2AADORA1
SCHEMBL3959345 0.87 SLC29A1 (0.38) SLC29A1ADORA2AADORA1
SCHEMBL3958830 0.85 SLC29A1 (0.42) SLC29A1
SCHEMBL3955238 0.85 SLC29A1 (0.42) SLC29A1
SCHEMBL3955307 0.85 ADORA2A (0.49) ADORA2AADORA1
SCHEMBL3960150 0.85 PDE4A (0.45)
SCHEMBL7208530 0.84 PDE4A (0.55) ADORA2AADORA1
SCHEMBL3957706 0.84 ALDH1A1 (0.45) LMNAKMT2A
SCHEMBL3958986 0.84 HSP90AA1 (0.44) SLC29A1LMNAKMT2A
SCHEMBL3960833 0.83 SLC29A1 (0.40) SLC29A1

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