SCHEMBL8970868

SCHEMBL8970868

Nc1nc(N)c2ncn([C@H]3C[C@H](OF)[C@@H](CO)O3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
PDE4D Q08499 2/20 0.58
PDE3A Q14432 2/20 0.58
PNP P00491 1/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
AHCY P23526 1/20 0.51
NT5E P21589 2/20 0.47
HIF1A Q16665 1/20 0.47
ADORA2A P29274 4/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2B P29275 2/20 0.44
PDE2A O00408 1/20 0.44
ADORA1 P30542 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRB1 P08588 1/20 0.44
DNMT1 P26358 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL4472338 0.89 PDE4D (0.74) LMNAPDE4DPDE3APNPTP53
SCHEMBL22300667 0.89 LMNA (0.58) LMNAPDE4DPDE3APNPTP53
SCHEMBL9548885 0.88 PNP (0.54) LMNAPDE4DPDE3APNPTP53
SCHEMBL31359569 0.86 PNP (0.55) LMNAPDE4DPDE3APNPTP53
SCHEMBL31359571 0.86 PNP (0.55) LMNAPDE4DPDE3APNPTP53
SCHEMBL13576815 0.86 PNP (0.55) LMNAPDE4DPDE3APNPTP53
SCHEMBL26800650 0.85 PNP (0.54) LMNAPDE4DPDE3APNPTP53
SCHEMBL9150000 0.85 PDE4D (0.61) LMNAPDE4DPDE3APNPTP53
SCHEMBL23982120 0.84 PNP (0.79) LMNAPDE4DPDE3APNPTP53
SCHEMBL12123492 0.84 PNP (0.79) LMNAPDE4DPDE3APNPTP53

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
EP-0417999-B1 Antiviral compounds WELLCOME FOUND (GB) 1996-03-13 EP claimed