SCHEMBL20219386

SCHEMBL20219386

CCCCNc1nc(C)ncc1OCCOCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TLR8 Q9NR97 10/20 0.35
▸ TLR7 Q9NYK1 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ CRHR1 P34998 1/20 0.31

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
SCHEMBL20219381 0.92 TLR8 (0.34) TLR8TLR7ALDH1A1POLBCYP3A4
SCHEMBL15470345 0.87 L3MBTL1 (0.46) TLR8TLR7L3MBTL1
SCHEMBL23472526 0.84 TLR8 (0.47) TLR8TLR7ALDH1A1POLBCYP3A4
SCHEMBL20219328 0.83 ATP4A (0.39) SCN9ATLR8TLR7TSHR
SCHEMBL20219430 0.83 TLR7 (0.42) TLR8TLR7ALDH1A1CYP3A4L3MBTL1
SCHEMBL23472288 0.82 TLR8 (0.38) TLR8TLR7CYP3A4L3MBTL1KDM4E
SCHEMBL20219396 0.82 TLR8 (0.35) TLR8TLR7ALDH1A1POLBCYP3A4
SCHEMBL20219543 0.79 TLR8 (0.47) TLR8TLR7ALDH1A1POLBCYP3A4
SCHEMBL23472109 0.79 TLR8 (0.38) TLR8TLR7ALDH1A1CYP3A4L3MBTL1
SCHEMBL20219723 0.77 ALDH1A1 (0.38) TLR8TLR7ALDH1A1POLBCRHR1

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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