SCHEMBL9294993

SCHEMBL9294993

Nc1ncnc2c1ncn2OCC(/C=C/P(=O)(O)O)CO

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHCY P23526 10/20 0.44
CYP3A4 P08684 1/20 0.43
FGFR1 P11362 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
ENPP1 P22413 3/20 0.42
ENPP3 O14638 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
SCHEMBL9295013 1.00 AHCY (0.44) AHCYCYP3A4FGFR1SLC22A6ADORA2A
SCHEMBL9569622 0.88 AHCY (0.44) AHCYCYP3A4FGFR1SLC22A6ADORA2A
SCHEMBL9569676 0.88 AHCY (0.44) AHCYCYP3A4FGFR1SLC22A6ADORA2A
SCHEMBL9569653 0.88 AHCY (0.44) AHCYCYP3A4FGFR1SLC22A6ADORA2A
SCHEMBL9295185 0.86 CYP3A4 (0.41) AHCYCYP3A4FGFR1ADORA2AADORA1
SCHEMBL9295198 0.86 CYP3A4 (0.41) AHCYCYP3A4FGFR1ADORA2AADORA1
SCHEMBL9294967 0.82 AHCY (0.58) AHCYCYP3A4FGFR1SLC22A6ADORA2A
SCHEMBL9294953 0.82 AHCY (0.58) AHCYCYP3A4FGFR1SLC22A6ADORA2A
SCHEMBL9569753 0.80 ADORA2A (0.54) AHCYCYP3A4FGFR1SLC22A6ADORA2A
SCHEMBL9569750 0.80 ADORA2A (0.54) AHCYCYP3A4FGFR1SLC22A6ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539487-A1 ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES BEECHAM GROUP PLC (GB) 1993-05-05 EP claimed
WO-1992001698-A1 ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES BEECHAM GROUP PLC (GB) 1992-02-06 WO claimed
US-5356886-A Treating herpes virus infections BEECHAM GROUP P.L.C. (GB) 1994-10-18 US disclosed
EP-0539487-A1 ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES BEECHAM GROUP PLC (GB) 1993-05-05 EP disclosed
WO-1992001698-A1 ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES BEECHAM GROUP PLC (GB) 1992-02-06 WO disclosed