SCHEMBL20219304

SCHEMBL20219304

C=CCCCCOc1cnc(C)nc1NCCCC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 12/20 0.36
▸ TLR7 Q9NYK1 11/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SLC29A1 Q99808 1/20 0.33
▸ CRHR1 P34998 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
SCHEMBL23472288 0.87 TLR8 (0.38) TLR8TLR7CYP3A4L3MBTL1CRHR1
SCHEMBL13195066 0.86 L3MBTL1 (0.48) TLR8TLR7L3MBTL1
SCHEMBL13195124 0.80 L3MBTL1 (0.49) TLR8TLR7L3MBTL1
SCHEMBL23472526 0.79 TLR8 (0.47) TLR8TLR7CYP3A4L3MBTL1TSHR
SCHEMBL23472109 0.79 TLR8 (0.38) TLR8TLR7CYP3A4L3MBTL1TSHR
SCHEMBL23472323 0.77 TLR8 (0.54) TLR8TLR7
SCHEMBL20219572 0.77 CYP2D6 (0.43) TLR8TLR7CYP3A4TSHR
SCHEMBL20219723 0.77 ALDH1A1 (0.38) TLR8TLR7CRHR1
SCHEMBL20219396 0.77 TLR8 (0.35) TLR8TLR7CYP3A4L3MBTL1CRHR1
SCHEMBL20219386 0.76 SCN9A (0.36) TLR8TLR7CYP3A4L3MBTL1TSHR

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
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