SCHEMBL16664740

SCHEMBL16664740

CC1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN)O1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.53
TLR9 Q9NR96 16/20 0.48
TLR7 Q9NYK1 16/20 0.48
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NSD2 O96028 1/20 0.39
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16633981 1.00 TLR8 (0.53) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL20626592 1.00 TLR8 (0.53) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL25701692 0.91 TLR8 (0.52) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633326 0.90 TLR8 (0.53) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633347 0.90 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16634353 0.90 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL19828894 0.90 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16634116 0.90 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633924 0.90 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16634109 0.90 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed