SCHEMBL20219393

SCHEMBL20219393

CCC[C@@H](CO)CNc1nc(C)ncc1OCCCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.38
▸ TLR7 Q9NYK1 3/20 0.38
▸ PTGES O14684 4/20 0.36
▸ ALOX5 P09917 4/20 0.36
▸ PPARG P37231 4/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ METAP1 P53582 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ C5AR1 P21730 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
SCHEMBL23472676 0.95 PPARG (0.40) TLR8TLR7PTGESALOX5PPARG
SCHEMBL23472598 0.86 TLR8 (0.43) TLR8TLR7PTGESALOX5PPARG
SCHEMBL23472561 0.84 TLR8 (0.48) TLR8TLR7PTGESALOX5PPARG
SCHEMBL20219252 0.83 CXCR2 (0.42) TLR8TLR7PTGESALOX5PPARG
SCHEMBL20219279 0.83 TLR8 (0.35) TLR8TLR7PTGESALOX5PPARG
SCHEMBL23472283 0.82 TLR7 (0.45) TLR8TLR7PTGESALOX5PPARG
SCHEMBL20219257 0.81 SIGMAR1 (0.41) TLR8TLR7PTGESALOX5PPARG
SCHEMBL23472079 0.80 TLR8 (0.47) TLR8TLR7PTGESALOX5PPARG
SCHEMBL23472523 0.80 TLR7 (0.50) TLR8TLR7
SCHEMBL20219554 0.80 TLR8 (0.41) TLR8TLR7PTGESALOX5PPARG

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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