SCHEMBL4247935

SCHEMBL4247935

CC(C)Cn1cnc2c(C(C)C)nc3cc(OCc4ccccc4)ccc3c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.51
PDE4D Q08499 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HRH2 P25021 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51
ADORA2A P29274 1/20 0.51
ADRA1A P35348 1/20 0.51
NUDT1 P36639 1/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 1/20 0.51
ALOX5 P09917 1/20 0.43
CYP3A4 P08684 3/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CYP26A1 O43174 1/20 0.38
GRM4 Q14833 1/20 0.38
DYRK1A Q13627 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL14667666 0.82 TLR7 (0.72) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL1486483 0.80 TLR7 (0.67) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL1486556 0.74 NMT1 (0.46) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL1486540 0.73 TLR7 (0.55) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL1486435 0.72 TLR7 (0.70) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL19522764 0.72 TLR7 (0.59) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL15911858 0.72 TLR7 (0.67) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL1486437 0.72 HRH3 (0.44) ALOX5CYP3A4HRH3GRM4DYRK1A
SCHEMBL3864168 0.72 TLR7 (0.73) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL1486582 0.71 LMNA (0.46) TLR7PDE4DLMNAPOLBHRH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 WO disclosed