SCHEMBL9504531

SCHEMBL9504531

Nc1nc2c(ncn2Cc2ccccc2COCP(=O)(O)O)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNP P00491 16/20 1.00
HPRT1 P00492 4/20 0.66

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
SCHEMBL8955603 0.87 PNP (1.00) PNPHPRT1
SCHEMBL9506808 0.86 PNP (1.00) PNPHPRT1
SCHEMBL9504543 0.84 PNP (1.00) PNPHPRT1
SCHEMBL9502951 0.82 PNP (0.69) PNP
SCHEMBL1938289 0.81 PNP (0.73) PNP
SCHEMBL1935860 0.81 PNP (0.71) PNP
SCHEMBL8955206 0.80 PNP (1.00) PNP
Gs-438 SCHEMBL64567 0.80 POLB (0.80) PNPHPRT1
SCHEMBL27519441 0.80 PNP (0.70) PNP
SCHEMBL8895437 0.79 HPRT1 (0.74) PNPHPRT1

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
EP-0550574-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992005180-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO disclosed