SCHEMBL20219707

SCHEMBL20219707

CCCCNc1nc(N)ncc1OCCCC(=N)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TLR8 Q9NR97 16/20 0.43
▸ TLR7 Q9NYK1 12/20 0.43
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL20219709 0.87 L3MBTL1 (0.44) L3MBTL1TLR8TLR7CYP1A2CYP2D6
SCHEMBL15470213 0.87 L3MBTL1 (0.46) L3MBTL1TLR8TLR7
SCHEMBL13195825 0.82 L3MBTL1 (0.57) L3MBTL1TLR8TLR7
SCHEMBL13195832 0.82 L3MBTL1 (0.49) L3MBTL1TLR8TLR7
SCHEMBL13195074 0.82 L3MBTL1 (0.52) L3MBTL1TLR8TLR7
SCHEMBL13195684 0.81 L3MBTL1 (0.56) L3MBTL1TLR8TLR7CYP1A2CYP2D6
SCHEMBL13195077 0.81 L3MBTL1 (0.56) L3MBTL1TLR8TLR7
SCHEMBL23472624 0.80 L3MBTL1 (0.44) L3MBTL1TLR8TLR7CYP1A2CYP2D6
SCHEMBL15470373 0.80 L3MBTL1 (0.50) L3MBTL1TLR8TLR7
SCHEMBL13195693 0.80 L3MBTL1 (0.50) L3MBTL1TLR8TLR7

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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