SCHEMBL29508376

SCHEMBL29508376

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.60
NUDT1 P36639 2/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
HRH2 P25021 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR2A P28223 1/20 0.60
ADORA2A P29274 1/20 0.60
ADRA1A P35348 1/20 0.60
HTR2B P41595 1/20 0.60
PDE4D Q08499 1/20 0.60
KCNH2 Q12809 1/20 0.60
TLR8 Q9NR97 11/20 0.43

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
SCHEMBL22761521 1.00 TLR7 (0.60) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL22761522 1.00 TLR7 (0.60) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL22761539 1.00 TLR7 (0.60) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL22761516 0.90 TLR7 (0.61) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL22749244 0.90 TLR7 (0.57) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL22749245 0.90 TLR7 (0.57) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL22749231 0.90 TLR7 (0.61) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL22749241 0.90 TLR7 (0.61) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL22761523 0.90 TLR7 (0.57) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL29508413 0.90 TLR7 (0.57) TLR7NUDT1LMNAPOLBHRH2

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