SCHEMBL8906319

SCHEMBL8906319

Cc1nc2nc[nH]c(=O)c2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
PNP P00491 1/20 0.50
SLC2A1 P11166 1/20 0.49
GDA Q9Y2T3 1/20 0.45
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
XDH P47989 6/20 0.42
PDPK1 O15530 1/20 0.42

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
SCHEMBL1898182 0.86 PNP (0.62) ALDH1A1PNPGDAGRIA1GRIA2
Phosphoric Acid SCHEMBL27704102 0.79 PNP (0.54) ALDH1A1PNPGDAGRIA1GRIA2
SCHEMBL931969 0.78 ALDH1A1 (0.57) ALDH1A1PNPSLC2A1GDAGRIA1
SCHEMBL5667616 0.78 PNP (0.73) ALDH1A1PNPSLC2A1GDAGRIA1
SCHEMBL932298 0.78 ALDH1A1 (0.57) ALDH1A1PNPSLC2A1GDAGRIA1
SCHEMBL10921399 0.78 ALDH1A1 (0.57) ALDH1A1PNPSLC2A1GDAGRIA1
SCHEMBL16513156 0.78 ALDH1A1 (0.57) ALDH1A1PNPSLC2A1GDAGRIA1
SCHEMBL4624285 0.78 ALDH1A1 (0.57) ALDH1A1PNPSLC2A1GDAGRIA1
SCHEMBL32689471 0.78 ALDH1A1 (0.57) ALDH1A1PNPSLC2A1GDAGRIA1
SCHEMBL22487898 0.78 ALDH1A1 (0.52) ALDH1A1PNPSLC2A1GDAGRIA1

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
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 WO disclosed
US-7608600-B2 Treating hepatitis C virus infections; antivirals have low toxicity to the host; inhibit Flaviviridae polymerase IDENIX PHARMACEUTICALS, INC. (US) 2009-10-27 US disclosed
US-7365057-B2 Treating hepatitis C virus infections; antivirals have low toxicity to the host; inhibit Flaviviridae polymerase IDENIX PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7192936-B2 Use treating hepatitis C infection optionally with other viricides such as interferons or ribavirin; low toxicity to the host; use of cytosine-based nucleotides or nucleosides having a 2'-trifluoromethyl-ribose moiety which forms a 5'-phosphate or hydroxy moiety in vivo IDENIX PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-5698685-A Morpholino-subunit combinatorial library and method ANTIVIRALS INC. (US) 1997-12-16 US disclosed
US-5506337-A Morpholino-subunit combinatorial library and method ANTIVIRALS INC. (US) 1996-04-09 US disclosed
WO-1995031459-A1 MORPHOLINO-SUBUNIT COMBINATORIAL LIBRARY AND METHOD ANTIVIRALS INC. (US) 1995-11-23 WO disclosed