SCHEMBL9506765

SCHEMBL9506765

Nc1nc2c(ncn2CCc2cccc(/C=C/CP(=O)(O)O)c2)c(=O)[nH]1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNP P00491 15/20 0.85
HPRT1 P00492 6/20 0.55

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
SCHEMBL9503572 0.92 PNP (1.00) PNPHPRT1
SCHEMBL6268532 0.77 PNP (0.79) PNPHPRT1
Hydrochloric Acid SCHEMBL17186538 0.76 PNP (0.61) PNPHPRT1
SCHEMBL9502878 0.76 PNP (0.80) PNPHPRT1
SCHEMBL9502882 0.76 PNP (1.00) PNPHPRT1
SCHEMBL17186255 0.75 PNP (0.75) PNPHPRT1
SCHEMBL28757633 0.73 PNP (0.62) PNPHPRT1
SCHEMBL9295419 0.72 HPRT1 (0.65) PNPHPRT1
SCHEMBL17186617 0.72 PNP (0.63) PNPHPRT1
SCHEMBL17186574 0.72 PNP (0.57) 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