SCHEMBL20219554

SCHEMBL20219554

CCCC(C)Nc1nc(C)ncc1OCCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 5/20 0.41
▸ TLR7 Q9NYK1 5/20 0.41
▸ CCR4 P51679 1/20 0.39
▸ TRPM8 Q7Z2W7 3/20 0.38
▸ PTGES O14684 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ IDO1 P14902 1/20 0.36

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
SCHEMBL20219257 0.90 SIGMAR1 (0.41) TLR8TLR7PTGESALOX5PPARG
SCHEMBL15469987 0.88 TLR7 (0.50) TLR8TLR7CCR4
SCHEMBL20219252 0.86 CXCR2 (0.42) TLR8TLR7PTGESALOX5PPARG
SCHEMBL20219688 0.85 TLR8 (0.39) TLR8TLR7CCR4TRPM8PTGES
SCHEMBL20219329 0.84 SIGMAR1 (0.41) TLR8TLR7PTGESALOX5PPARG
SCHEMBL23472338 0.83 TLR8 (0.39) TLR8TLR7CCR4PTGESALOX5
SCHEMBL23472079 0.83 TLR8 (0.47) TLR8TLR7PTGESALOX5PPARG
SCHEMBL20219393 0.80 TLR8 (0.38) TLR8TLR7PTGESALOX5PPARG
SCHEMBL23472323 0.78 TLR8 (0.54) TLR8TLR7
SCHEMBL15469989 0.77 TLR8 (0.48) TLR8TLR7SIGMAR1

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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