SCHEMBL20219559

SCHEMBL20219559

CCCCNc1nc(N)ncc1OCCCc1ccccc1C(C)(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 15/20 0.46
▸ TLR8 Q9NR97 10/20 0.46
▸ CYP1A2 P05177 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL15470093 0.93 TLR7 (0.53) TLR7TLR8CYP1A2L3MBTL1CYP2D6
SCHEMBL23472451 0.85 TLR7 (0.51) TLR7TLR8CYP1A2L3MBTL1CYP2D6
SCHEMBL20219358 0.84 CYP3A4 (0.41) TLR7TLR8CYP1A2CYP2D6
SCHEMBL13195677 0.83 TLR7 (0.49) TLR7TLR8CYP1A2L3MBTL1CYP2D6
SCHEMBL15470024 0.83 TLR7 (0.51) TLR7TLR8CYP1A2L3MBTL1CYP2D6
SCHEMBL15470063 0.83 TLR7 (0.61) TLR7TLR8CYP1A2L3MBTL1CYP2D6
SCHEMBL15469981 0.83 TLR7 (0.49) TLR7TLR8CYP1A2L3MBTL1CYP2D6
SCHEMBL20219387 0.82 CYP1A2 (0.45) TLR7TLR8CYP1A2L3MBTL1CYP2D6
SCHEMBL23472284 0.82 TLR7 (0.50) TLR7TLR8CYP1A2L3MBTL1CYP2D6
SCHEMBL13195051 0.81 TLR7 (0.68) TLR7TLR8CYP1A2L3MBTL1CYP2D6

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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