SCHEMBL29508372

SCHEMBL29508372

CCCC[C@@H](Nc1c(N)cnc2ccccc12)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
KCNH2 Q12809 1/20 0.39
LRRK2 Q5S007 1/20 0.37
SLC2A1 P11166 1/20 0.36
CACNA2D1 P54289 8/20 0.36
S1PR2 O95136 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL29508394 0.91 TLR8 (0.41) TLR8TLR7KCNH2LRRK2SLC2A1
SCHEMBL28674921 0.91 TLR8 (0.41) TLR8TLR7KCNH2LRRK2SLC2A1
SCHEMBL5270377 0.86 LRRK2 (0.38) TLR8TLR7KCNH2LRRK2SLC2A1
SCHEMBL29508383 0.84 TLR8 (0.40) TLR8TLR7KCNH2LRRK2SLC2A1
SCHEMBL29508384 0.83 KCNH2 (0.38) TLR8TLR7KCNH2LRRK2SLC2A1
SCHEMBL28681620 0.83 KCNH2 (0.38) TLR8TLR7KCNH2LRRK2SLC2A1
SCHEMBL1034069 0.82 MEN1 (0.36) LRRK2LMNASMN1; SMN2NPSR1PDE4B
SCHEMBL23924991 0.82 LRRK2 (0.36) TLR8TLR7LRRK2SLC2A1SMN1; SMN2
SCHEMBL23924989 0.82 LRRK2 (0.36) TLR8TLR7LRRK2SLC2A1SMN1; SMN2
SCHEMBL23924927 0.81 LRRK2 (0.38) LRRK2SMN1; SMN2PDE4B

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