SCHEMBL20219474

SCHEMBL20219474

C=Cc1ncc(OC[C@H](C)OC)c(NCCCC)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 5/20 0.33
▸ TLR7 Q9NYK1 4/20 0.33
▸ STK17A Q9UEE5 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ SLC29A1 Q99808 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ FLT3 P36888 2/20 0.30
▸ TYRO3 Q06418 2/20 0.30
▸ MERTK Q12866 2/20 0.30
▸ GAS6 Q14393 2/20 0.30
▸ AXL P30530 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL20219391 0.83 TLR8 (0.35) TLR8TLR7STK17AALDH1A1POLB
SCHEMBL15470366 0.82 L3MBTL1 (0.49) TLR8TLR7L3MBTL1CYP1A2
SCHEMBL20219475 0.82 L3MBTL1 (0.49) TLR8TLR7L3MBTL1CYP1A2
SCHEMBL20219702 0.82 ALDH1A1 (0.35) TLR8TLR7ALDH1A1POLBL3MBTL1
SCHEMBL23472603 0.78 TLR8 (0.36) TLR8TLR7STK17AALDH1A1POLB
SCHEMBL23472521 0.77 FLT3 (0.34) TLR8TLR7STK17AALDH1A1POLB
SCHEMBL23472446 0.76 TLR8 (0.39) TLR8TLR7ALDH1A1POLBL3MBTL1
SCHEMBL23472434 0.75 CYP2D6 (0.40) TLR8TLR7ALDH1A1KDM4EFLT3
SCHEMBL23472593 0.75 CYP1A2 (0.43) TLR8TLR7STK17AALDH1A1POLB
SCHEMBL20219322 0.75 CYP1A2 (0.42) TLR8TLR7STK17AALDH1A1POLB

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-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
Send feedback