SCHEMBL9684116

SCHEMBL9684116

Nc1ncnc2c1ncn2OCCCCP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
ENPP1 P22413 1/20 0.47
CYP3A4 P08684 7/20 0.46
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
PNP P00491 3/20 0.43
HPRT1 P00492 2/20 0.43
CYP2D6 P10635 6/20 0.43
FBP1 P09467 1/20 0.43

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
SCHEMBL9685282 0.96 FGFR1 (0.53) FGFR1SLC22A6ENPP1CYP3A4ADORA2A
SCHEMBL9857536 0.85 FGFR1 (0.65) FGFR1SLC22A6ENPP1CYP3A4ADORA2A
SCHEMBL9684339 0.84 HPRT1 (0.45) FGFR1SLC22A6PNPHPRT1
SCHEMBL9683437 0.83 CYP3A4 (0.43) FGFR1SLC22A6ENPP1CYP3A4ADORA2A
SCHEMBL6334793 0.83 FGFR1 (0.61) FGFR1SLC22A6ENPP1CYP3A4ADORA2A
SCHEMBL2107417 0.82 FGFR1 (0.68) FGFR1SLC22A6ENPP1CYP3A4ADORA2A
SCHEMBL29391225 0.82 FGFR1 (0.68) FGFR1SLC22A6ENPP1CYP3A4ADORA2A
SCHEMBL9677373 0.81 FGFR1 (0.50) FGFR1SLC22A6ENPP1CYP3A4ADORA2A
SCHEMBL9685561 0.80 CYP3A4 (0.47) FGFR1SLC22A6ENPP1CYP3A4ADORA2A
SCHEMBL9683747 0.80 ADORA2A (0.43) FGFR1SLC22A6ENPP1CYP3A4ADORA2A

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-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP claimed
US-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP disclosed