SCHEMBL28420439

SCHEMBL28420439

CCCOC(=O)c1nc(N)c2ncn(CCOCP(=O)(O)O)c2n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.59
SLC22A6 Q4U2R8 2/20 0.59
POLA1 P09884 2/20 0.46
POLG P54098 2/20 0.46
ABCB11 O95342 1/20 0.46
FAP Q12884 1/20 0.46
POLB P06746 4/20 0.45
HPRT1 P00492 4/20 0.41
SERPINA3 P01011 1/20 0.40
CYP3A4 P08684 1/20 0.39
PNP P00491 1/20 0.38

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
Pmedap SCHEMBL29571667 0.81 FGFR1 (0.72) FGFR1SLC22A6POLA1POLGABCB11
Pmedap SCHEMBL215611 0.81 FGFR1 (0.72) FGFR1SLC22A6POLA1POLGABCB11
SCHEMBL1565558 0.77 FGFR1 (0.57) FGFR1SLC22A6POLA1POLGABCB11
SCHEMBL2607253 0.76 SLC22A6 (0.62) FGFR1SLC22A6POLA1POLGABCB11
SCHEMBL16020631 0.76 FGFR1 (0.61) FGFR1SLC22A6POLA1POLGPOLB
SCHEMBL7591535 0.75 SLC29A1 (0.57) FGFR1SLC22A6POLA1POLGPOLB
Adefovir SCHEMBL29365535 0.75 FGFR1 (1.00) FGFR1SLC22A6POLA1POLGABCB11
Adefovir SCHEMBL49373 0.75 FGFR1 (1.00) FGFR1SLC22A6POLA1POLGABCB11
SCHEMBL16020630 0.74 FGFR1 (0.55) FGFR1SLC22A6POLA1POLGPOLB
SCHEMBL1565553 0.74 FGFR1 (0.56) FGFR1SLC22A6POLA1POLGABCB11

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
CN-106117295-B Adefovir monothiol-amino acid ester mono-cholate derivative and preparation method thereof 贵州医科大学 2020-05-22 CN claimed