SCHEMBL9184543

SCHEMBL9184543

CC(=O)OCC[C@@H](COC(C)=O)On1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ VCP P55072 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HBB P68871 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PNP P00491 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ EDNRA P25101 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL9184550 0.82 MEN1 (0.45) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL9183369 0.80 PNP (0.49) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL8839866 0.80 HPRT1 (0.58) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL10970953 0.79 BLM (0.66) PDE3AMEN1KMT2ABLMALDH1A1
Hydrochloric Acid SCHEMBL10533769 0.79 HPRT1 (0.57) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL9583727 0.78 BLM (0.72) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL21162677 0.78 PDE3A (0.55) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL9184455 0.77 BLM (0.61) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL9182612 0.77 BLM (0.61) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL9185885 0.77 BLM (0.61) PDE3AMEN1KMT2ABLMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242482-B1 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1995-09-06 — — EP claimed
US-4965270-A Viricides BEECHAM GROUP P.L.C. (GB) 1990-10-23 — — US claimed
EP-0313289-A2 Process for the preparation of purine compounds and intermediates therefor BEECHAM GROUP PLC (GB) 1989-04-26 — — EP claimed
EP-0242482-A2 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1987-10-28 — — EP claimed
EP-0242482-B1 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1995-09-06 — — EP disclosed
US-4965270-A Viricides BEECHAM GROUP P.L.C. (GB) 1990-10-23 — — US disclosed
EP-0242482-A2 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1987-10-28 — — EP disclosed
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