SCHEMBL29508403

SCHEMBL29508403

CC(C)[C@@H](C)n1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.64
ADORA2A P29274 2/20 0.64
LMNA P02545 1/20 0.64
POLB P06746 1/20 0.64
HRH2 P25021 1/20 0.64
ADRA1D P25100 1/20 0.64
HTR2A P28223 1/20 0.64
ADRA1A P35348 1/20 0.64
NUDT1 P36639 1/20 0.64
HTR2B P41595 1/20 0.64
PDE4D Q08499 1/20 0.64
KCNH2 Q12809 1/20 0.64
TLR8 Q9NR97 9/20 0.45
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL22749239 1.00 TLR7 (0.64) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL22761517 1.00 TLR7 (0.64) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL22749238 1.00 TLR7 (0.64) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL13770893 0.90 TLR7 (0.65) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL22761521 0.88 TLR7 (0.60) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL22761539 0.88 TLR7 (0.60) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL22761522 0.88 TLR7 (0.60) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL29508376 0.88 TLR7 (0.60) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL4670100 0.86 TLR7 (0.61) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL10588025 0.86 TLR7 (0.61) TLR7ADORA2ALMNAPOLBHRH2

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