SCHEMBL20219263

SCHEMBL20219263

CCCCNc1nc(N)ncc1CCCCc1ccc(CC)c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TLR7 Q9NYK1 14/20 0.44
▸ TLR8 Q9NR97 9/20 0.44
▸ DHFR P00374 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL20219571 0.93 TLR7 (0.47) L3MBTL1TLR7TLR8DHFRCYP1A2
SCHEMBL23472363 0.86 TLR7 (0.54) L3MBTL1TLR7TLR8DHFRCYP1A2
SCHEMBL13195740 0.84 L3MBTL1 (0.57) L3MBTL1TLR7TLR8
SCHEMBL23472257 0.83 L3MBTL1 (0.58) L3MBTL1TLR7TLR8
SCHEMBL20219671 0.82 DHFR (0.51) L3MBTL1TLR7TLR8DHFR
SCHEMBL15470097 0.81 TLR7 (0.47) L3MBTL1TLR7TLR8CYP1A2CYP3A4
SCHEMBL17035543 0.81 L3MBTL1 (0.63) L3MBTL1TLR7TLR8
SCHEMBL20219607 0.81 TLR7 (0.52) L3MBTL1TLR7TLR8
SCHEMBL20219757 0.81 TLR7 (0.39) L3MBTL1TLR7TLR8CYP1A2CYP3A4
SCHEMBL20219303 0.81 TLR8 (0.54) L3MBTL1TLR7TLR8

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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