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SCHEMBL25699773

SCHEMBL25699773

CC1CN(c2ccc(C#N)c3ncccc23)CC(CN2CCN(c3ccnc(N4CC(N)C4)n3)CC2)O1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 15/20 0.51
▸ TLR7 Q9NYK1 15/20 0.51
▸ TLR8 Q9NR97 14/20 0.51
▸ HRH1 P35367 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ACACB O00763 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
SCHEMBL24120542 1.00 TLR9 (0.51) TLR9TLR7TLR8HRH1HRH3
SCHEMBL24120228 0.94 TLR9 (0.47) TLR9TLR7TLR8HRH1HRH3
SCHEMBL25702229 0.94 TLR9 (0.45) TLR9TLR7TLR8HRH1HRH3
SCHEMBL30381265 0.92 TLR9 (0.51) TLR9TLR7TLR8HRH1HRH3
SCHEMBL30381964 0.92 TLR9 (0.51) TLR9TLR7TLR8HRH1HRH3
SCHEMBL30381943 0.92 TLR9 (0.51) TLR9TLR7TLR8HRH1HRH3
SCHEMBL24120681 0.92 TLR9 (0.51) TLR9TLR7TLR8HRH1HRH3
SCHEMBL24120789 0.92 TLR9 (0.51) TLR9TLR7TLR8HRH1HRH3
SCHEMBL24120760 0.92 TLR9 (0.51) TLR9TLR7TLR8HRH1HRH3
SCHEMBL24120684 0.92 TLR9 (0.51) TLR9TLR7TLR8HRH1HRH3

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-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 — — EP disclosed