SCHEMBL9504672

SCHEMBL9504672

Nc1nc2c(nc(Br)n2Cc2cccc(COCP(=O)(O)O)c2)c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.69
HPRT1 P00492 9/20 0.49

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 0.82 PNP (1.00) PNPHPRT1
SCHEMBL10506827 0.79 PNP (0.60) PNPHPRT1
SCHEMBL10507177 0.78 PNP (0.54) PNPHPRT1
SCHEMBL2128391 0.78 PNP (0.76) PNPHPRT1
SCHEMBL8720000 0.78 HPRT1 (0.64) PNPHPRT1
SCHEMBL10508294 0.73 TYMS (0.56) PNPHPRT1
SCHEMBL9798201 0.73 PNP (0.58) PNPHPRT1
SCHEMBL9503573 0.73 PNP (1.00) PNPHPRT1
SCHEMBL10506664 0.73 PNP (0.60) PNPHPRT1
SCHEMBL10506260 0.72 PNP (0.58) 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