SCHEMBL9569446

SCHEMBL9569446

Nc1nc2c(ncn2CCC(O)/C=C/P(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.60
PNP P00491 9/20 0.59
TK1 P04183 1/20 0.56

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
SCHEMBL9569450 1.00 HPRT1 (0.60) HPRT1PNPTK1
SCHEMBL9569682 0.89 HPRT1 (0.61) HPRT1PNP
SCHEMBL9569690 0.89 HPRT1 (0.61) HPRT1PNP
SCHEMBL9569605 0.88 HPRT1 (0.58) HPRT1PNPTK1
SCHEMBL9569645 0.88 HPRT1 (0.58) HPRT1PNPTK1
SCHEMBL9569463 0.86 PNP (0.56) HPRT1PNPTK1
SCHEMBL9569460 0.86 PNP (0.56) HPRT1PNPTK1
SCHEMBL9295419 0.82 HPRT1 (0.65) HPRT1PNPTK1
SCHEMBL9295433 0.82 HPRT1 (0.65) HPRT1PNPTK1
SCHEMBL7173165 0.81 TK1 (0.68) HPRT1PNPTK1

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