SCHEMBL19994282

SCHEMBL19994282

COc1ccc(Sc2nc(N)nc3c2ncn3CC(CF)OCP(=O)(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 11/20 0.45
CYP3A4 P08684 1/20 0.40
TYMP P19971 1/20 0.39
SLC29A1 Q99808 1/20 0.38
FGFR1 P11362 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CYP1A2 P05177 1/20 0.36
ADORA2A P29274 1/20 0.35

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
SCHEMBL20012093 1.00 HPRT1 (0.45) HPRT1CYP3A4TYMPSLC29A1FGFR1
SCHEMBL19994279 1.00 HPRT1 (0.45) HPRT1CYP3A4TYMPSLC29A1FGFR1
SCHEMBL19994973 0.91 SLC29A1 (0.39) HPRT1CYP3A4SLC29A1HSP90AA1HSP90AB1
SCHEMBL19994972 0.91 SLC29A1 (0.39) HPRT1CYP3A4SLC29A1HSP90AA1HSP90AB1
SCHEMBL20012074 0.89 SLC29A1 (0.38) HPRT1CYP3A4SLC29A1HSP90AA1HSP90AB1
SCHEMBL20012087 0.89 SLC29A1 (0.38) HPRT1CYP3A4SLC29A1HSP90AA1HSP90AB1
SCHEMBL20012357 0.89 CYP3A4 (0.53) HPRT1CYP3A4SLC29A1CYP1A2
SCHEMBL7131234 0.89 CYP3A4 (0.53) HPRT1CYP3A4SLC29A1CYP1A2
SCHEMBL20012073 0.82 SLC29A1 (0.39) HPRT1CYP3A4SLC29A1HSP90AA1HSP90AB1
SCHEMBL17599288 0.81 HPRT1 (0.38) HPRT1CYP3A4SLC29A1HSP90AA1HSP90AB1

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-3515923-A1 PRODRUGS OF FLUORINATED ACYCLIC NUCLEOSIDE PHOSPHONATES Katholieke Universiteit Leuven (BE) 2019-07-31 EP disclosed
WO-2018055071-A1 PRODRUGS OF FLUORINATED ACYCLIC NUCLEOSIDE PHOSPHONATES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-03-29 WO disclosed
WO-2018055071-A1 PRODRUGS OF FLUORINATED ACYCLIC NUCLEOSIDE PHOSPHONATES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-03-29 WO disclosed