SCHEMBL9569639

SCHEMBL9569639

Nc1nc2c(c(=O)[nH]1)NCN2CCC(C=CP(=O)(O)O)CO

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.56
PNP P00491 1/20 0.30

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
SCHEMBL9294933 0.90 HPRT1 (0.62) HPRT1PNP
SCHEMBL9569464 0.88 HPRT1 (0.58) HPRT1PNP
SCHEMBL10508123 0.85 HPRT1 (0.54) HPRT1
Phosphoric Acid SCHEMBL1664405 0.83 HPRT1 (0.62) HPRT1PNP
SCHEMBL9295538 0.82 HPRT1 (0.51) HPRT1PNP
SCHEMBL9569709 0.81 HPRT1 (0.59) HPRT1PNP
SCHEMBL9569647 0.81 HPRT1 (0.59) HPRT1PNP
SCHEMBL9295431 0.81 HPRT1 (0.62) HPRT1PNP
SCHEMBL10920053 0.80 HPRT1 (0.56) HPRT1
SCHEMBL146837 0.80 HPRT1 (0.58) HPRT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532423-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP claimed