SCHEMBL29508402

SCHEMBL29508402

CCCC[C@@H](n1cnc2cnc3ccccc3c21)C(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.39
LMNA P02545 1/20 0.36
USP5 P45974 1/20 0.36
TLR8 Q9NR97 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TSHR P16473 1/20 0.34
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 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
SCHEMBL22749243 1.00 TLR7 (0.39) TLR7LMNAUSP5TLR8PDE4A
SCHEMBL22749271 0.93 USP5 (0.37) TLR7LMNAUSP5TLR8PDE4A
SCHEMBL29508406 0.91 PDE4A (0.36) TLR7LMNAUSP5TLR8PDE4A
SCHEMBL29508398 0.88 USP5 (0.39) TLR7LMNAUSP5TLR8TSHR
SCHEMBL29508409 0.83 USP5 (0.40) TLR7LMNAUSP5PDE4DTSHR
SCHEMBL22749242 0.83 USP5 (0.40) TLR7LMNAUSP5PDE4DTSHR
SCHEMBL21995110 0.83 TLR7 (0.36) TLR7USP5TLR8TSHR
SCHEMBL21994853 0.83 TLR7 (0.36) TLR7USP5TLR8TSHR
SCHEMBL22749284 0.80 TLR7 (0.56) TLR7LMNATLR8PDE4DKCNH2
SCHEMBL22749228 0.80 TLR7 (0.56) TLR7LMNATLR8PDE4DKCNH2

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