SCHEMBL7097329

SCHEMBL7097329

Nc1nc(Cl)c2ncn([C@@H]3C[C@H](CO)[C@@H](O)C3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.52
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
PDE4D Q08499 2/20 0.43
PNP P00491 1/20 0.43
HTT P42858 1/20 0.43
PDE3A Q14432 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NT5E P21589 1/20 0.42
NR1I2 O75469 1/20 0.40
ALB P02768 1/20 0.40
ADORA2B P29275 1/20 0.40
CYP2C19 P33261 1/20 0.39
TK1 P04183 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
SCHEMBL7140807 1.00 AHCY (0.52) AHCYLMNATP53PDE4DPNP
SCHEMBL7140801 1.00 AHCY (0.52) AHCYLMNATP53PDE4DPNP
SCHEMBL9311466 0.94 AHCY (0.54) AHCYLMNATP53PDE4DPNP
SCHEMBL9310980 0.87 AHCY (0.50) AHCYLMNATP53PDE4DPNP
SCHEMBL9309144 0.86 AHCY (0.65) AHCYLMNATP53PDE4DPNP
SCHEMBL23358348 0.86 AHCY (0.48) AHCYLMNATP53PDE4DPNP
Hydrochloric Acid SCHEMBL23358343 0.85 AHCY (0.47) AHCYLMNATP53PDE4DPNP
SCHEMBL9423943 0.83 PDE4D (0.62) AHCYLMNATP53PDE4DPNP
SCHEMBL19503470 0.83 PDE4D (0.62) AHCYLMNATP53PDE4DPNP
SCHEMBL10513742 0.82 AHCY (0.72) AHCYLMNATP53NT5EADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628044-B1 THERAPEUTIC NUCLEOSIDES WELLCOME FOUND (GB) 2003-07-23 EP disclosed
US-5919941-A Intermediates for the preparation of sulphonic acid salts of 4-amino-2-cyclopentene-1-carboxylic acid GLAXO WELLCOME INC. (US) 1999-07-06 US disclosed
US-5840990-A ENANTIOMORPHS AND VIRICIDES FOR CHEMICAL INTERMEDIATES GLAXO WELLCOME INC. (US) 1998-11-24 US disclosed
US-5808147-A Therapeutic nucleosides GLAXO WELLCOME INC. (US) 1998-09-15 US disclosed
US-5641889-A AMINO-HYDROXY-CYCLOPENTENE INTERMEDIATES FOR PURINE NUCLEOSIDES; VIRICIDES GLAXO WELLCOME INC. (US) 1997-06-24 US disclosed
WO-1993017020-A2 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-02 WO disclosed