SCHEMBL9675501

SCHEMBL9675501

CCOP(=O)(CSC(CO)COn1cnc2c(N)ncnc21)OCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.39
FGFR1 P11362 2/20 0.38
AHCY P23526 4/20 0.38
ADORA2A P29274 4/20 0.38
ADORA1 P30542 3/20 0.38
CYP2D6 P10635 5/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ADORA2B P29275 1/20 0.37
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
SLC22A6 Q4U2R8 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
SCHEMBL9674847 0.89 FAP (0.38) CYP3A4FGFR1AHCYADORA2AADORA1
SCHEMBL9675613 0.87 CYP3A4 (0.44) CYP3A4FGFR1AHCYADORA2AADORA1
SCHEMBL9684215 0.83 ADORA2A (0.40) CYP3A4FGFR1AHCYADORA2AADORA1
SCHEMBL9555527 0.81 FAP (0.44) CYP3A4FGFR1AHCYADORA2AADORA1
SCHEMBL9555568 0.81 FAP (0.44) CYP3A4FGFR1AHCYADORA2AADORA1
SCHEMBL9417158 0.81 FAP (0.44) CYP3A4FGFR1AHCYADORA2AADORA1
SCHEMBL9677354 0.81 PNP (0.44) CYP3A4
SCHEMBL9675797 0.81 HSP90AA1 (0.33)
SCHEMBL9675785 0.81 HSP90AA1 (0.33)
SCHEMBL9858011 0.80 SLC22A6 (0.43) CYP3A4FGFR1AHCYADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399743-A1 Phosphonomethylthio-alkoseypureine derivatives, intermediate products for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP claimed
US-5108994-A Synergistic with interferon; herpes virus BEECHAM GROUP P.L.C. (GB) 1992-04-28 US disclosed
EP-0399743-A1 Phosphonomethylthio-alkoseypureine derivatives, intermediate products for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP disclosed