SCHEMBL6691478

SCHEMBL6691478

Nc1nc(Cl)c(N)c(NC2C=CC(CO)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
ALB P02768 1/20 0.41
PDE4D Q08499 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.34
ABCB1 P08183 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
SCHEMBL13790123 1.00 NR1I2 (0.41) NR1I2ALBPDE4DIRAK4ABCB1
SCHEMBL6691481 1.00 NR1I2 (0.41) NR1I2ALBPDE4DIRAK4ABCB1
SCHEMBL332026 1.00 NR1I2 (0.41) NR1I2ALBPDE4DIRAK4ABCB1
SCHEMBL18480735 0.87 NR1I2 (0.33) NR1I2ALBPDE4D
SCHEMBL13789991 0.87 NR1I2 (0.39) NR1I2ALBPDE4DIRAK4
SCHEMBL20616297 0.85 NR1I2 (0.32) NR1I2ALBPDE4D
SCHEMBL5117081 0.83 NR1I2 (0.37) NR1I2ALBPDE4DIRAK4
SCHEMBL14049050 0.83 NR1I2 (0.37) NR1I2ALBPDE4DIRAK4
SCHEMBL4980179 0.83 NR1I2 (0.37) NR1I2ALBPDE4DIRAK4
SCHEMBL331086 0.83 NR1I2 (0.37) NR1I2ALBPDE4DIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100465174-C Process for preparing optics pure abacavir SHANGHAI INST ORGANIC CHEM (CN) 2009-03-04 CN disclosed
CN-1861601-A Process for preparing optics pure abacavir SHANGHAI INST ORGANIC CHEM (CN) 2006-11-15 CN disclosed
EP-0878548-B1 Multistep process for the preparation of (1S,4R)- and/or (1R,4S)-4-(2-Amino-6-Chlor-9-H-purin-9-yl)-2-cyclopentene-1-methanol LONZA AG (CH) 2004-09-01 EP disclosed
EP-1124805-B1 METHOD FOR PRODUCING 4-[(2',5'- DIAMINO-6'- HALOPYRIMIDINE- 4'-YL)AMINO]- CYCLOPENT- 2-ENYLMETHANOLS LONZA AG (CH) 2003-05-21 EP disclosed
US-6433170-B1 ETHERIFICATION OF A CORRSPONDING CHEMICAL INTERMEDIATE LONZA GROUP (CH) 2002-08-13 US disclosed
EP-0434450-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1999-07-07 EP disclosed
EP-0921121-A1 Intermediates to therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1999-06-09 EP disclosed
EP-0921114-A1 Intermediates to therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1999-06-09 EP disclosed
EP-0349242-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1995-03-22 EP disclosed
EP-0434450-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-06-26 EP disclosed
EP-0349242-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-03 EP disclosed