SCHEMBL19994973

SCHEMBL19994973

CCP(=O)(CC)COC(CF)Cn1cnc2c(Sc3ccc(OC)cc3)nc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.39
HPRT1 P00492 11/20 0.39
CYP2C19 P33261 3/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CYP1A2 P05177 2/20 0.36
ADORA2A P29274 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
HIF1A Q16665 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
DHFR P00374 1/20 0.33

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
SCHEMBL19994972 1.00 SLC29A1 (0.39) SLC29A1HPRT1CYP2C19HSP90AA1HSP90AB1
SCHEMBL19994279 0.91 HPRT1 (0.45) SLC29A1HPRT1HSP90AA1HSP90AB1CYP1A2
SCHEMBL19994282 0.91 HPRT1 (0.45) SLC29A1HPRT1HSP90AA1HSP90AB1CYP1A2
SCHEMBL20012093 0.91 HPRT1 (0.45) SLC29A1HPRT1HSP90AA1HSP90AB1CYP1A2
SCHEMBL20012074 0.90 SLC29A1 (0.38) SLC29A1HPRT1CYP2C19HSP90AA1HSP90AB1
SCHEMBL20012087 0.90 SLC29A1 (0.38) SLC29A1HPRT1CYP2C19HSP90AA1HSP90AB1
SCHEMBL20012073 0.83 SLC29A1 (0.39) SLC29A1HPRT1CYP2C19HSP90AA1HSP90AB1
SCHEMBL19994721 0.80 HPRT1 (0.46) HPRT1HSP90AA1HSP90AB1
SCHEMBL7131234 0.79 CYP3A4 (0.53) SLC29A1HPRT1CYP1A2CYP2D6CYP3A4
SCHEMBL20012357 0.79 CYP3A4 (0.53) SLC29A1HPRT1CYP1A2CYP2D6CYP3A4

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 2 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