SCHEMBL3259052

SCHEMBL3259052

Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)CC3O)c2n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.58
LMNA P02545 2/20 0.51
PNP P00491 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE3A Q14432 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ADORA2A P29274 2/20 0.50
NT5E P21589 2/20 0.50
HSP90B1 P14625 1/20 0.50
HIF1A Q16665 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2B P29275 1/20 0.49
HINT1 P49773 1/20 0.48
CYP2C19 P33261 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
SCHEMBL3952851 1.00 AHCY (0.58) AHCYLMNAPNPTP53HTT
SCHEMBL21562190 1.00 AHCY (0.58) AHCYLMNAPNPTP53HTT
SCHEMBL14075790 0.88 LMNA (0.49) LMNAPNPTP53HTTPDE4D
SCHEMBL19959557 0.88 PDE4D (0.66) LMNAPNPTP53HTTPDE4D
SCHEMBL13224455 0.88 LMNA (0.50) AHCYLMNAPNPTP53HTT
SCHEMBL3436979 0.88 PDE4D (0.66) LMNAPNPTP53HTTPDE4D
SCHEMBL8287088 0.88 ADORA3 (0.55) LMNAPNPTP53HTTPDE4D
SCHEMBL21132768 0.88 LMNA (0.65) AHCYLMNAPNPTP53HTT
SCHEMBL3436977 0.88 PDE4D (0.66) LMNAPNPTP53HTTPDE4D
SCHEMBL20419178 0.88 LMNA (0.49) LMNAPNPTP53HTTPDE4D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666851-B1 Three ring fused analogs of isoguanosine BENNER STEVEN ALBERT 2010-02-23 US disclosed