SCHEMBL20219573

SCHEMBL20219573

C=Cc1ncc(OC)c(N[C@@H](CCCC)C[C@@H](C)O)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 10/20 0.35
▸ TLR8 Q9NR97 4/20 0.35
▸ TRPM8 Q7Z2W7 5/20 0.35
▸ KCNH2 Q12809 2/20 0.33
▸ MITF O75030 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ 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
SCHEMBL23472112 0.86 TLR7 (0.34) TLR7TLR8TRPM8KCNH2MITF
SCHEMBL20413303 0.85 TLR7 (0.37) TLR7TLR8TRPM8KCNH2MITF
SCHEMBL20219539 0.84 TLR7 (0.46) TLR7TLR8KCNH2
SCHEMBL13195109 0.84 TLR7 (0.46) TLR7TLR8KCNH2
SCHEMBL23472637 0.83 STK17A (0.30) TRPM8
SCHEMBL20219550 0.79 CXCR2 (0.38) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL23472188 0.79 TLR7 (0.36) TLR7TLR8KCNH2LMNA
SCHEMBL23472590 0.77 STK17A (0.31) —
SCHEMBL23472496 0.76 TLR7 (0.39) TLR7TLR8KCNH2
SCHEMBL23472468 0.74 TRPM8 (0.42) TRPM8MITFLMNAMAPTSMN1; SMN2

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
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