SCHEMBL20219397

SCHEMBL20219397

BC(C)(F)c1ccc(CCCOc2cnc(N)nc2NCCCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 17/20 0.48
▸ TLR8 Q9NR97 15/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL23472284 0.92 TLR7 (0.50) TLR7TLR8L3MBTL1CYP1A2CYP2D6
SCHEMBL15470073 0.91 TLR7 (0.52) TLR7TLR8L3MBTL1CYP1A2CYP2D6
SCHEMBL23472139 0.85 TLR8 (0.56) TLR7TLR8L3MBTL1CYP1A2CYP2D6
SCHEMBL23472653 0.84 TLR8 (0.55) TLR7TLR8L3MBTL1CYP1A2CYP2D6
SCHEMBL15469985 0.83 TLR8 (0.54) TLR7TLR8L3MBTL1CYP1A2CYP2D6
SCHEMBL13195051 0.83 TLR7 (0.68) TLR7TLR8L3MBTL1CYP1A2CYP2D6
SCHEMBL13195073 0.82 TLR7 (0.53) TLR7TLR8L3MBTL1
SCHEMBL15470120 0.82 TLR7 (0.55) TLR7TLR8L3MBTL1CYP1A2CYP2D6
SCHEMBL23472190 0.82 TLR7 (0.41) TLR7TLR8L3MBTL1
SCHEMBL23472241 0.81 TLR7 (0.51) TLR7TLR8L3MBTL1CYP1A2CYP2D6

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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