SCHEMBL9682654

SCHEMBL9682654

COc1nc2nc[nH]c2c(=O)[nH]1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.56
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
ALDH1A1 P00352 1/20 0.50
GDA Q9Y2T3 1/20 0.50
PDE5A O76074 1/20 0.47
XDH P47989 6/20 0.47

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
SCHEMBL8520502 0.98 PNP (0.57) PNPGRIA1GRIA2GRIA3GRIA4
SCHEMBL1898182 0.75 PNP (0.62) PNPGRIA1GRIA2GRIA3GRIA4
SCHEMBL27496341 0.74 GDA (0.62) PNPGDAXDH
Guanine SCHEMBL27400537 0.74 PNP (0.96) PNPGRIA1GRIA2GRIA3GRIA4
Water SCHEMBL9461622 0.72 PNP (0.59) PNPGRIA1GRIA2GRIA3GRIA4
SCHEMBL8230113 0.72 PNP (0.62) PNPGRIA1GRIA2GRIA3GRIA4
Xanthine SCHEMBL29180270 0.72 PNP (0.62) PNPGRIA1GRIA2GRIA3GRIA4
SCHEMBL612168 0.72 PNP (0.62) PNPGRIA1GRIA2GRIA3GRIA4
Guanine SCHEMBL1264884 0.72 PNP (1.00) PNPGRIA1GRIA2GRIA3GRIA4
SCHEMBL94917 0.72 PNP (0.62) PNPGRIA1GRIA2GRIA3GRIA4

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-0488079-A1 Oxadiazolylmethylpurines, their preparation, and their pharmaceutical use CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-06-03 EP disclosed