SCHEMBL23472650

SCHEMBL23472650

C=Cc1ncc(OCc2cc(C)n(C)n2)c(N[C@H](CO)CCC)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.34
▸ TLR7 Q9NYK1 8/20 0.32
▸ TLR8 Q9NR97 7/20 0.32

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
SCHEMBL23472531 0.91 CRHR1 (0.34) CRHR1TLR7TLR8
SCHEMBL15470301 0.86 TLR7 (0.42) TLR7TLR8
SCHEMBL20386630 0.86 TLR7 (0.42) TLR7TLR8
SCHEMBL20219461 0.81 TLR8 (0.37) CRHR1TLR7TLR8
SCHEMBL20219542 0.80 TLR8 (0.43) TLR7TLR8
SCHEMBL20219566 0.80 TLR8 (0.37) CRHR1TLR7TLR8
SCHEMBL15470288 0.80 TLR8 (0.43) TLR7TLR8
SCHEMBL20386621 0.80 KCNH2 (0.34) TLR7TLR8
SCHEMBL15470272 0.79 KCNH2 (0.45) TLR7TLR8
SCHEMBL20219549 0.79 KCNH2 (0.45) TLR7TLR8

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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