SCHEMBL16655185

SCHEMBL16655185

CC1CN(c2ccc(C#N)c3ncccc23)CC(CNc2cccnc2)O1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.44
TLR9 Q9NR96 14/20 0.43
TLR7 Q9NYK1 14/20 0.43
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.34
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL16634098 1.00 TLR8 (0.44) TLR8TLR9TLR7KDM4EALDH1A1
SCHEMBL16634100 1.00 TLR8 (0.44) TLR8TLR9TLR7KDM4EALDH1A1
SCHEMBL16633743 0.92 TLR8 (0.46) TLR8TLR9TLR7KDM4EALDH1A1
SCHEMBL16633745 0.92 TLR8 (0.46) TLR8TLR9TLR7KDM4EALDH1A1
SCHEMBL16632384 0.91 TLR8 (0.46) TLR8TLR9TLR7KDM4EALDH1A1
SCHEMBL16632382 0.91 TLR8 (0.46) TLR8TLR9TLR7KDM4EALDH1A1
SCHEMBL16634185 0.89 TLR8 (0.44) TLR8TLR9TLR7KDM4EALDH1A1
SCHEMBL16634188 0.89 TLR8 (0.44) TLR8TLR9TLR7KDM4EALDH1A1
SCHEMBL16633912 0.89 TLR8 (0.45) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633914 0.89 TLR8 (0.45) 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-3057964-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP claimed
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO claimed