SCHEMBL9504773

SCHEMBL9504773

Nc1nc2c(ncn2Cc2ccc(C[C@H](N)C(=O)OCP(=O)(O)O)cc2)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNP P00491 14/20 0.70
HPRT1 P00492 6/20 0.59

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
SCHEMBL9506808 0.82 PNP (1.00) PNPHPRT1
SCHEMBL3021041 0.76 PNP (0.77) PNPHPRT1
SCHEMBL9506062 0.76 PNP (1.00) PNPHPRT1
SCHEMBL10506668 0.76 PNP (0.76) PNP
SCHEMBL9504543 0.76 PNP (1.00) PNPHPRT1
SCHEMBL8955626 0.75 PNP (0.73) PNPHPRT1
SCHEMBL3308559 0.75 PNP (0.79) PNP
SCHEMBL1262622 0.75 PNP (0.79) PNP
SCHEMBL9502878 0.74 PNP (0.80) PNPHPRT1
SCHEMBL3310273 0.74 PNP (0.77) 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