SCHEMBL20219637

SCHEMBL20219637

CCCCNc1nc(N)ncc1CCCOc1cccc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.51
TLR8 Q9NR97 3/20 0.51
CYP1A2 P05177 5/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL23472363 0.91 TLR7 (0.54) TLR7TLR8CYP1A2CYP3A4CYP2D6
SCHEMBL15470064 0.89 TLR7 (0.53) TLR7TLR8CYP1A2CYP3A4CYP2D6
SCHEMBL15470025 0.88 CYP1A2 (0.53) TLR7TLR8CYP1A2CYP3A4CYP2D6
SCHEMBL15470097 0.84 TLR7 (0.47) TLR7TLR8CYP1A2CYP3A4CYP2D6
SCHEMBL17035548 0.84 TLR7 (0.64) TLR7TLR8CYP1A2CYP3A4CYP2D6
SCHEMBL20219571 0.83 TLR7 (0.47) TLR7TLR8CYP1A2CYP3A4L3MBTL1
SCHEMBL15470063 0.83 TLR7 (0.61) TLR7TLR8CYP1A2CYP3A4CYP2D6
SCHEMBL23472150 0.83 DHFR (0.51) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL20219303 0.82 TLR8 (0.54) TLR7TLR8L3MBTL1
SCHEMBL20219767 0.81 TLR7 (0.44) TLR7TLR8CYP1A2CYP3A4L3MBTL1

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