SCHEMBL16664719

SCHEMBL16664719

CC1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CCC(N3CCCCC3)CC2)O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.48
TLR9 Q9NR96 13/20 0.48
TLR7 Q9NYK1 13/20 0.48
KDM4E B2RXH2 1/20 0.37
RAD52 P43351 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
HRH1 P35367 1/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL16634343 1.00 TLR8 (0.48) TLR8TLR9TLR7KDM4ERAD52
SCHEMBL24404851 1.00 TLR8 (0.48) TLR8TLR9TLR7KDM4ERAD52
SCHEMBL16633712 1.00 TLR8 (0.48) TLR8TLR9TLR7KDM4ERAD52
SCHEMBL16634345 1.00 TLR8 (0.48) TLR8TLR9TLR7KDM4ERAD52
SCHEMBL19829013 1.00 TLR8 (0.48) TLR8TLR9TLR7KDM4ERAD52
Hydrochloric Acid SCHEMBL16633213 0.99 TLR8 (0.48) TLR8TLR9TLR7KDM4ERAD52
SCHEMBL16633862 0.99 TLR9 (0.49) TLR8TLR9TLR7KDM4ERAD52
SCHEMBL16633859 0.99 TLR9 (0.49) TLR8TLR9TLR7KDM4ERAD52
SCHEMBL16634196 0.96 TLR9 (0.48) TLR8TLR9TLR7KDM4ERAD52
SCHEMBL16634200 0.96 TLR9 (0.48) TLR8TLR9TLR7KDM4ERAD52

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
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed