SCHEMBL23472430

SCHEMBL23472430

CCCCC(CO)Nc1nc(N)ncc1C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 10/20 0.57
▸ TLR7 Q9NYK1 5/20 0.57
▸ KCNH2 Q12809 7/20 0.50
▸ NUDT1 P36639 2/20 0.46

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
SCHEMBL13195729 0.83 TLR7 (0.54) TLR8TLR7KCNH2
SCHEMBL13195694 0.83 TLR7 (0.54) TLR8TLR7KCNH2
SCHEMBL20219473 0.83 TLR7 (0.54) TLR8TLR7KCNH2
SCHEMBL20386651 0.82 KCNH2 (0.59) TLR8TLR7KCNH2NUDT1
SCHEMBL12692509 0.79 NUDT1 (0.53) TLR8TLR7KCNH2NUDT1
SCHEMBL13195135 0.79 TLR8 (0.50) TLR8TLR7KCNH2
SCHEMBL15470158 0.79 TLR7 (0.43) TLR8TLR7KCNH2
SCHEMBL23472386 0.78 TLR8 (0.51) TLR8TLR7KCNH2
SCHEMBL23472261 0.78 TLR8 (0.44) TLR8TLR7KCNH2
SCHEMBL18109629 0.78 TLR8 (0.69) TLR8TLR7KCNH2

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
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