SCHEMBL23472603

SCHEMBL23472603

C=Cc1ncc(OCC(C)(C)O)c(NCCCC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ FLT3 P36888 9/20 0.35
▸ TYRO3 Q06418 9/20 0.35
▸ MERTK Q12866 9/20 0.35
▸ GAS6 Q14393 9/20 0.35
▸ AXL P30530 2/20 0.35
▸ SLC29A1 Q99808 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ EGFR P00533 2/20 0.32
▸ ITK Q08881 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 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
SCHEMBL23472521 0.92 FLT3 (0.34) TLR8TLR7FLT3TYRO3MERTK
SCHEMBL15469977 0.81 L3MBTL1 (0.50) TLR8TLR7L3MBTL1
SCHEMBL20219350 0.81 ALDH1A1 (0.32) TLR8TLR7ALDH1A1POLB
SCHEMBL20219474 0.78 TLR8 (0.33) TLR8TLR7FLT3TYRO3MERTK
SCHEMBL23472434 0.76 CYP2D6 (0.40) TLR8TLR7FLT3TYRO3MERTK
SCHEMBL20219702 0.76 ALDH1A1 (0.35) TLR8TLR7L3MBTL1ALDH1A1POLB
SCHEMBL23472593 0.76 CYP1A2 (0.43) TLR8TLR7TYRO3MERTKGAS6
SCHEMBL20219444 0.75 TLR7 (0.42) TLR8TLR7FLT3TYRO3MERTK
SCHEMBL20219428 0.75 TLR7 (0.40) TLR8TLR7FLT3TYRO3MERTK
SCHEMBL20219512 0.74 TLR8 (0.38) TLR8TLR7FLT3TYRO3MERTK

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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