SCHEMBL20219387

SCHEMBL20219387

CCCCNc1nc(N)ncc1OCCOc1ccccc1C(F)(F)P

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TLR7 Q9NYK1 13/20 0.45
▸ TLR8 Q9NR97 10/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL15470024 0.92 TLR7 (0.51) CYP1A2CYP2D6TLR7TLR8L3MBTL1
SCHEMBL15470093 0.82 TLR7 (0.53) CYP1A2CYP2D6TLR7TLR8L3MBTL1
SCHEMBL23472467 0.82 TLR7 (0.56) CYP1A2CYP2D6TLR7TLR8L3MBTL1
SCHEMBL20219559 0.82 TLR7 (0.46) CYP1A2CYP2D6TLR7TLR8L3MBTL1
SCHEMBL13195825 0.80 L3MBTL1 (0.57) TLR7TLR8L3MBTL1
SCHEMBL20219430 0.80 TLR7 (0.42) CYP1A2CYP2D6TLR7TLR8L3MBTL1
SCHEMBL23472474 0.80 TLR7 (0.54) CYP1A2CYP2D6TLR7TLR8L3MBTL1
SCHEMBL15470345 0.79 L3MBTL1 (0.46) TLR7TLR8L3MBTL1
SCHEMBL13195684 0.79 L3MBTL1 (0.56) CYP1A2CYP2D6TLR7TLR8L3MBTL1
SCHEMBL13195077 0.79 L3MBTL1 (0.56) TLR7TLR8L3MBTL1

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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