SCHEMBL25417310

SCHEMBL25417310

C[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CN2CCN(c3cccc(N4CCN(C)CC4)n3)CC2)O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 15/20 0.48
TLR7 Q9NYK1 15/20 0.48
TLR8 Q9NR97 14/20 0.48
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL25700218 1.00 TLR9 (0.48) TLR9TLR7TLR8MEN1USP2
SCHEMBL24120227 1.00 TLR9 (0.48) TLR9TLR7TLR8MEN1USP2
SCHEMBL16633920 0.93 TLR8 (0.52) TLR9TLR7TLR8MEN1USP2
SCHEMBL16633919 0.93 TLR8 (0.52) TLR9TLR7TLR8MEN1USP2
SCHEMBL24120216 0.92 TLR9 (0.46) TLR9TLR7TLR8HRH1HRH3
SCHEMBL25699731 0.92 TLR9 (0.46) TLR9TLR7TLR8HRH1HRH3
SCHEMBL24120536 0.92 TLR9 (0.47) TLR9TLR7TLR8
SCHEMBL30381586 0.92 TLR9 (0.47) TLR9TLR7TLR8
SCHEMBL24120580 0.91 TLR9 (0.49) TLR9TLR7TLR8HRH1HRH3
SCHEMBL24120743 0.91 TLR9 (0.51) TLR9TLR7TLR8GAASMN1; 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 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 claimed