SCHEMBL23472270

SCHEMBL23472270

CCCC[C@@H](CO)Nc1nc(C)ncc1OCCOC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.41
▸ TLR7 Q9NYK1 8/20 0.41
▸ CRHR1 P34998 2/20 0.35
▸ KCNH2 Q12809 5/20 0.34

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
SCHEMBL20413264 0.93 CRHR1 (0.40) TLR8TLR7CRHR1
SCHEMBL20219523 0.93 CRHR1 (0.40) TLR8TLR7CRHR1
SCHEMBL20219720 0.92 TLR7 (0.46) TLR8TLR7KCNH2
SCHEMBL13195135 0.87 TLR8 (0.50) TLR8TLR7KCNH2
SCHEMBL23472108 0.85 CRHR1 (0.41) TLR8TLR7CRHR1KCNH2
SCHEMBL20219370 0.85 CYP2D6 (0.40) TLR8TLR7CRHR1KCNH2
SCHEMBL20413293 0.85 CYP2D6 (0.40) TLR8TLR7CRHR1KCNH2
SCHEMBL20386702 0.84 TLR7 (0.46) TLR8TLR7KCNH2
SCHEMBL23472079 0.84 TLR8 (0.47) TLR8TLR7KCNH2
SCHEMBL20413268 0.81 TLR7 (0.42) 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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