SCHEMBL23472149

SCHEMBL23472149

CCCCNc1nc(N)ncc1NCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.61
TLR7 Q9NYK1 13/20 0.61
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL13195051 0.85 TLR7 (0.68) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL13194976 0.84 TLR8 (0.64) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL15470430 0.84 L3MBTL1 (0.58) TLR8TLR7L3MBTL1
SCHEMBL17035546 0.84 TLR8 (0.62) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL13194968 0.83 TLR8 (0.62) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL13195126 0.83 TLR7 (0.61) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL20219355 0.82 TLR7 (0.64) TLR8TLR7CYP1A2CYP2D6
SCHEMBL2002467 0.82 HDAC6 (0.53) TLR8TLR7
SCHEMBL6414963 0.80 TLR7 (0.58) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL13195033 0.80 TLR8 (0.67) TLR8TLR7CYP1A2CYP2D6L3MBTL1

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 EP disclosed