SCHEMBL13801673

SCHEMBL13801673

O=c1[nH]cnc2c1ncn2N1C[C@H](CO)[C@H](O)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 9/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ADORA3 P0DMS8 3/20 0.44
▸ HPRT1 P00492 3/20 0.42
▸ TYMP P19971 1/20 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
SCHEMBL1573049 1.00 PNP (0.50) PNPALDH1A1LMNAALBMAPK1
SCHEMBL4250337 1.00 PNP (0.50) PNPALDH1A1LMNAALBMAPK1
SCHEMBL13813965 1.00 PNP (0.50) PNPALDH1A1LMNAALBMAPK1
SCHEMBL1573051 0.76 AHCY (0.38) ADORA3
SCHEMBL9310418 0.76 ALDH1A1 (0.58) PNPALDH1A1LMNAALBMAPK1
SCHEMBL4250330 0.76 AHCY (0.38) ADORA3
SCHEMBL10395086 0.73 ALDH1A1 (0.55) PNPALDH1A1LMNAALBMAPK1
SCHEMBL9308280 0.73 ALDH1A1 (0.60) PNPALDH1A1LMNAALBMAPK1
SCHEMBL12715510 0.72 HPRT1 (0.38) PNPALDH1A1LMNAALBMAPK1
SCHEMBL13801674 0.71 HPRT1 (0.42) LMNAHPRT1TYMP

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
US-7553839-B2 5h-pyrrolo[3,2-D] pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2009-06-30 — — US disclosed
Send feedback