SCHEMBL9503573

SCHEMBL9503573

Nc1nc2c(ncn2Cc2cccc(COCCP(=O)(O)O)c2)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNP P00491 14/20 1.00
HPRT1 P00492 7/20 0.67

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
SCHEMBL9504543 0.91 PNP (1.00) PNPHPRT1
SCHEMBL9502878 0.86 PNP (0.80) PNPHPRT1
SCHEMBL9502882 0.86 PNP (1.00) PNPHPRT1
SCHEMBL9504538 0.84 PNP (0.72) PNPHPRT1
SCHEMBL9506062 0.82 PNP (1.00) PNPHPRT1
SCHEMBL9506008 0.81 PNP (1.00) PNPHPRT1
SCHEMBL23859843 0.81 HPRT1 (1.00) PNPHPRT1
SCHEMBL9506808 0.81 PNP (1.00) PNPHPRT1
SCHEMBL15545141 0.80 HPRT1 (0.81) PNPHPRT1
SCHEMBL27868175 0.80 PNP (0.76) PNP

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