SCHEMBL8561474

SCHEMBL8561474

Nc1ncnc2c1ncn2COCCP(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.73
SLC22A6 Q4U2R8 2/20 0.66
FGFR1 P11362 2/20 0.66
HPRT1 P00492 5/20 0.65
NT5E P21589 1/20 0.61
CYP3A4 P08684 1/20 0.56
PNP P00491 3/20 0.52
ADORA2A P29274 3/20 0.51
ADORA1 P30542 2/20 0.51
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
ABCB11 O95342 1/20 0.49
POLA1 P09884 1/20 0.49
POLG P54098 1/20 0.49
FAP Q12884 1/20 0.49
ADCY5 O95622 1/20 0.49

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
SCHEMBL29433341 0.89 FGFR1 (0.80) ENPP1SLC22A6FGFR1CYP3A4ADORA2A
SCHEMBL8897180 0.84 SLC22A6 (0.72) ENPP1SLC22A6FGFR1NT5ECYP3A4
SCHEMBL8895414 0.82 SLC22A6 (0.70) ENPP1SLC22A6FGFR1NT5ECYP3A4
SCHEMBL8927904 0.82 SLC22A6 (0.70) ENPP1SLC22A6FGFR1NT5ECYP3A4
SCHEMBL2293269 0.82 ADORA2A (0.66) ENPP1SLC22A6FGFR1NT5EPNP
SCHEMBL31314844 0.82 ENPP1 (0.72) ENPP1SLC22A6FGFR1NT5ECYP3A4
SCHEMBL13648201 0.81 ENPP1 (0.65) ENPP1SLC22A6FGFR1NT5ECYP3A4
SCHEMBL24617894 0.81 ENPP1 (0.71) ENPP1SLC22A6FGFR1NT5ECYP3A4
SCHEMBL11247503 0.81 ENPP1 (0.60) ENPP1SLC22A6FGFR1NT5EADORA2A
SCHEMBL22652872 0.80 ENPP1 (0.70) ENPP1SLC22A6FGFR1NT5ECYP3A4

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
US-5733890-A Adenylate analogs as potent anti-herpes virus agents NATIONAL SCIENCE COUNCIL (TW) 1998-03-31 US disclosed