SCHEMBL1477120

SCHEMBL1477120

Nc1nc(=O)c2ncn(COC3COP(=O)(O)OC3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 15/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ USP2 O75604 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL29503314 0.83 PNP (0.56) STING1PDE3BPDE3AUSP2PNP
SCHEMBL18744083 0.73 PNP (0.54) USP2PNPTSHREDNRAHTR2A
SCHEMBL97280 0.72 PNP (0.53) STING1PDE3BPDE3AUSP2PNP
Acyclovir SCHEMBL40723 0.72 PNP (0.67) USP2PNPTSHREDNRAHTR2A
SCHEMBL18190780 0.71 PNP (0.47) USP2PNPTSHREDNRAHTR2A
Ganciclovir SCHEMBL3034 0.71 BLM (0.67) PDE3AUSP2PNPTSHREDNRA
SCHEMBL13341127 0.70 STING1 (0.75) STING1PDE3BPDE3ABLM
SCHEMBL29486908 0.70 STING1 (0.75) STING1PDE3BPDE3ABLM
SCHEMBL4283932 0.70 STING1 (0.75) STING1PDE3BPDE3ABLM
Ganciclovir SCHEMBL147839 0.70 BLM (0.65) PDE3AUSP2PNPTSHREDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1860158-B1 Particles comprising a substrate and an anion-binding layer MERCK PATENT GMBH (DE) 2013-12-04 — — EP disclosed
US-7914893-B2 Particles comprising an anion-binding layer containing anion-forming organic active compounds, and method of making and using thereof MERCK PATENT GMBH (DE) 2011-03-29 — — US disclosed
US-20070275244-A1 Particles MERCK PATENT GMBH 2007-11-29 — — US disclosed
EP-1860158-A2 Particles comprising a substrate and an anion-binding layer MERCK PATENT GmbH (DE) 2007-11-28 — — EP disclosed
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