SCHEMBL23472637

SCHEMBL23472637

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

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 1/20 0.30
▸ SMPD1 P17405 1/20 0.30
▸ TRPM8 Q7Z2W7 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
SCHEMBL23472590 0.93 STK17A (0.31) STK17A
SCHEMBL20219573 0.83 TLR7 (0.35) TRPM8
SCHEMBL23472112 0.73 TLR7 (0.34) TRPM8
SCHEMBL20219627 0.71 TLR7 (0.44) TRPM8
SCHEMBL20219474 0.69 TLR8 (0.33) STK17A
SCHEMBL20219550 0.68 CXCR2 (0.38) TRPM8
SCHEMBL23472468 0.68 TRPM8 (0.42) TRPM8
SCHEMBL20413303 0.68 TLR7 (0.37) TRPM8
SCHEMBL13195109 0.67 TLR7 (0.46) —
SCHEMBL20219539 0.67 TLR7 (0.46) —

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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