SCHEMBL9054351

SCHEMBL9054351

Nc1nc2c(c(=O)[nH]1)NCN2CCCOCP(=O)(O)O

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 13/20 0.87
PNP P00491 6/20 0.39

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
SCHEMBL9053851 0.97 HPRT1 (0.85) HPRT1PNP
SCHEMBL64568 0.93 HPRT1 (1.00) HPRT1PNP
Phosphoric Acid SCHEMBL3497655 0.92 HPRT1 (0.98) HPRT1PNP
SCHEMBL9857606 0.84 HPRT1 (0.69) HPRT1PNP
SCHEMBL15531987 0.84 HPRT1 (0.74) HPRT1
SCHEMBL8899140 0.83 HPRT1 (0.74) HPRT1PNP
SCHEMBL9515983 0.83 HPRT1 (0.72) HPRT1PNP
SCHEMBL9538076 0.82 HPRT1 (0.71) HPRT1PNP
SCHEMBL8720408 0.82 HPRT1 (0.63) HPRT1PNP
SCHEMBL9417162 0.82 HPRT1 (0.72) HPRT1PNP

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-0269947-B2 Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives ACAD OF SCIENCE CZECH REPUBLIC (CS) 1996-10-16 EP claimed
EP-0269947-A1 Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1988-06-08 EP claimed