SCHEMBL20219391

SCHEMBL20219391

CCCCNc1nc(C)ncc1OC[C@H](C)OC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 12/20 0.35
▸ TLR7 Q9NYK1 7/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CRHR1 P34998 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.32

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
SCHEMBL20219563 0.86 TLR8 (0.36) TLR8TLR7CYP3A4ALDH1A1POLB
SCHEMBL15470366 0.86 L3MBTL1 (0.49) TLR8TLR7L3MBTL1
SCHEMBL20219475 0.86 L3MBTL1 (0.49) TLR8TLR7L3MBTL1
SCHEMBL20219474 0.83 TLR8 (0.33) TLR8TLR7ALDH1A1POLBL3MBTL1
SCHEMBL20219396 0.80 TLR8 (0.35) TLR8TLR7CYP3A4ALDH1A1POLB
SCHEMBL23472288 0.80 TLR8 (0.38) TLR8TLR7CYP3A4L3MBTL1CRHR1
SCHEMBL23472109 0.80 TLR8 (0.38) TLR8TLR7CYP3A4ALDH1A1L3MBTL1
SCHEMBL23472526 0.77 TLR8 (0.47) TLR8TLR7CYP3A4ALDH1A1POLB
SCHEMBL20219723 0.75 ALDH1A1 (0.38) TLR8TLR7ALDH1A1POLBCRHR1
SCHEMBL20219512 0.74 TLR8 (0.38) TLR8TLR7CYP3A4ALDH1A1POLB

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
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
Send feedback