SCHEMBL20219702

SCHEMBL20219702

C=Cc1ncc(OCCOCC(C)C)c(NCCCC)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TLR8 Q9NR97 3/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ POLB P06746 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL20219396 0.84 TLR8 (0.35) ALDH1A1TLR8TLR7POLBL3MBTL1
SCHEMBL15470375 0.83 L3MBTL1 (0.47) TLR8TLR7L3MBTL1
SCHEMBL20219350 0.83 ALDH1A1 (0.32) ALDH1A1MEN1KMT2ATLR8TLR7
SCHEMBL20219474 0.82 TLR8 (0.33) ALDH1A1TLR8TLR7POLBL3MBTL1
SCHEMBL23472434 0.80 CYP2D6 (0.40) ALDH1A1TLR8TLR7
SCHEMBL23472702 0.78 CCNB2 (0.35) ALDH1A1MEN1KMT2ATLR8TLR7
SCHEMBL20219322 0.78 CYP1A2 (0.42) ALDH1A1MEN1KMT2ATLR8TLR7
SCHEMBL23472511 0.78 CHRNB2 (0.43) KMT2ATLR8TLR7
SCHEMBL20219444 0.77 TLR7 (0.42) TLR8TLR7
SCHEMBL20219428 0.77 TLR7 (0.40) ALDH1A1TLR8TLR7L3MBTL1

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
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