SCHEMBL23472190

SCHEMBL23472190

BC(F)(F)c1ccc(CCCOc2cnc(C)nc2NCCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 8/20 0.41
▸ TLR8 Q9NR97 7/20 0.41
▸ STK17A Q9UEE5 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ STK17B O94768 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ GAS6 Q14393 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL20219479 0.91 TLR7 (0.41) TLR7TLR8STK17AL3MBTL1STK17B
SCHEMBL20219489 0.84 TLR8 (0.44) TLR7TLR8STK17AL3MBTL1STK17B
SCHEMBL23472518 0.82 TLR7 (0.45) TLR7TLR8STK17A
SCHEMBL20219397 0.82 TLR7 (0.48) TLR7TLR8L3MBTL1
SCHEMBL15470073 0.80 TLR7 (0.52) TLR7TLR8L3MBTL1MCHR1
SCHEMBL20219328 0.80 ATP4A (0.39) TLR7TLR8
SCHEMBL23472323 0.79 TLR8 (0.54) TLR7TLR8ALDH1A1
SCHEMBL23472284 0.79 TLR7 (0.50) TLR7TLR8L3MBTL1
SCHEMBL23472288 0.77 TLR8 (0.38) TLR7TLR8L3MBTL1MCHR1
SCHEMBL23472163 0.76 TLR7 (0.49) TLR7TLR8

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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