SCHEMBL13648201

SCHEMBL13648201

Nc1ncnc2c1ncn2COP(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.65
FGFR1 P11362 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
CYP3A4 P08684 1/20 0.57
NT5E P21589 1/20 0.57
ADORA2A P29274 6/20 0.56
ADORA1 P30542 5/20 0.56
PI4KA P42356 2/20 0.55
PI4K2B Q8TCG2 2/20 0.55
PI4K2A Q9BTU6 2/20 0.55
PI4KB Q9UBF8 2/20 0.55
ADORA2B P29275 1/20 0.52
ALDH1A1 P00352 1/20 0.52
DNPH1 O43598 1/20 0.52
PRKAB2 O43741 1/20 0.52
TRPM2 O94759 1/20 0.52
LDHA P00338 1/20 0.52
ADRB2 P07550 1/20 0.52
FBP1 P09467 1/20 0.52
SRC P12931 1/20 0.52

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
SCHEMBL10601866 0.83 ENPP1 (0.53) ENPP1FGFR1SLC22A6CYP3A4NT5E
SCHEMBL31314844 0.81 ENPP1 (0.72) ENPP1FGFR1SLC22A6CYP3A4NT5E
SCHEMBL8561474 0.81 ENPP1 (0.73) ENPP1FGFR1SLC22A6CYP3A4NT5E
SCHEMBL28742775 0.81 FGFR1 (0.65) ENPP1FGFR1SLC22A6CYP3A4ADORA2A
SCHEMBL8897180 0.80 SLC22A6 (0.72) ENPP1FGFR1SLC22A6CYP3A4NT5E
Pyrophosphoric Acid SCHEMBL10602251 0.80 CYP3A4 (0.55) ENPP1FGFR1SLC22A6CYP3A4NT5E
SCHEMBL8895414 0.79 SLC22A6 (0.70) ENPP1FGFR1SLC22A6CYP3A4NT5E
SCHEMBL8927904 0.79 SLC22A6 (0.70) ENPP1FGFR1SLC22A6CYP3A4NT5E
SCHEMBL9569602 0.79 ENPP1 (0.55) ENPP1FGFR1SLC22A6CYP3A4NT5E
SCHEMBL21518178 0.79 CYP3A4 (0.76) CYP3A4ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503800-B1 TREATMENT AND PREVENTION OF TISSUE DAMAGE ASSOCIATED WITH INCREASED C-REACTIVE PROTEIN PRODUCTION PENTRAXIN THERAPEUTICS LTD (GB) 2009-10-28 EP disclosed