SCHEMBL29508384

SCHEMBL29508384

CCC[C@@H](Nc1c(N)cnc2ccccc12)C(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
LRRK2 Q5S007 1/20 0.37
CACNA2D1 P54289 2/20 0.36
TLR7 Q9NYK1 4/20 0.35
TLR8 Q9NR97 4/20 0.35
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC2A1 P11166 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
SCHEMBL28681620 1.00 KCNH2 (0.38) KCNH2LRRK2CACNA2D1TLR7TLR8
SCHEMBL28674921 0.93 TLR8 (0.41) KCNH2LRRK2CACNA2D1TLR7TLR8
SCHEMBL29508394 0.93 TLR8 (0.41) KCNH2LRRK2CACNA2D1TLR7TLR8
SCHEMBL22749304 0.90 LRRK2 (0.39) LRRK2TLR7MEN1PKMKMT2A
SCHEMBL22749302 0.90 LRRK2 (0.39) LRRK2TLR7MEN1PKMKMT2A
SCHEMBL22749276 0.86 LRRK2 (0.40) LRRK2MEN1PKMKMT2A
SCHEMBL22749275 0.86 LRRK2 (0.40) LRRK2MEN1PKMKMT2A
SCHEMBL21994851 0.85 KMT2A (0.37) LRRK2TLR7TLR8MEN1PKM
SCHEMBL21994850 0.85 KMT2A (0.37) LRRK2TLR7TLR8MEN1PKM
SCHEMBL28693066 0.85 LRRK2 (0.38) LRRK2TLR7TLR8MEN1PKM

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-3980415-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2022-04-13 EP disclosed