SCHEMBL20219366

SCHEMBL20219366

CCC[C@@H](CO)Nc1nc(C)ncc1OCc1cc(C)nn1C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.40
FFAR1 O14842 1/20 0.36
TLR8 Q9NR97 8/20 0.35
TLR7 Q9NYK1 8/20 0.35
PFKFB3 Q16875 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL20413271 0.94 TLR8 (0.36) CRHR1FFAR1TLR8TLR7PFKFB3
SCHEMBL15470290 0.90 TLR8 (0.42) TLR8TLR7
SCHEMBL20386695 0.90 TLR8 (0.42) TLR8TLR7
SCHEMBL20219745 0.87 KCNH2 (0.39) CRHR1FFAR1TLR8TLR7
SCHEMBL23472388 0.86 CRHR1 (0.33) CRHR1FFAR1TLR8TLR7
SCHEMBL23472615 0.86 FFAR1 (0.36) CRHR1FFAR1TLR8TLR7DAO
SCHEMBL20219389 0.84 TLR8 (0.43) TLR8TLR7
SCHEMBL15469724 0.84 TLR8 (0.43) TLR8TLR7
SCHEMBL15470318 0.83 KCNH2 (0.45) TLR8TLR7
SCHEMBL23472482 0.81 TLR8 (0.33) FFAR1TLR8TLR7

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