SCHEMBL9506808

SCHEMBL9506808

Nc1nc2c(ncn2Cc2ccc(COCP(=O)(O)O)cc2)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNP P00491 12/20 1.00
HPRT1 P00492 7/20 0.68

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 0.90 PNP (1.00) PNPHPRT1
SCHEMBL9504531 0.86 PNP (1.00) PNPHPRT1
SCHEMBL9504773 0.82 PNP (0.70) PNPHPRT1
SCHEMBL3425620 0.82 PNP (0.70) PNPHPRT1
SCHEMBL3426102 0.82 PNP (0.70) PNPHPRT1
SCHEMBL9504540 0.82 PNP (0.69) PNP
Gs-438 SCHEMBL64567 0.81 POLB (0.80) PNPHPRT1
SCHEMBL3021041 0.81 PNP (0.77) PNPHPRT1
SCHEMBL9506062 0.81 PNP (1.00) PNPHPRT1
SCHEMBL9503573 0.81 PNP (1.00) 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