SCHEMBL5747381

SCHEMBL5747381

NC(=O)c1ccc(F)cc1CCCCn1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.49
ADORA2A P29274 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HRH2 P25021 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
NUDT1 P36639 1/20 0.46
HTR2B P41595 1/20 0.46
PDE4D Q08499 1/20 0.46
KCNH2 Q12809 1/20 0.46
TLR8 Q9NR97 7/20 0.38
ADORA3 P0DMS8 1/20 0.36
IKBKB O14920 1/20 0.34
GRM2 Q14416 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR7 P34969 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
SCHEMBL5749840 0.89 TLR7 (0.49) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3866212 0.89 TLR7 (0.49) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3862410 0.89 TLR7 (0.52) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL5750059 0.89 TLR7 (0.49) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3863897 0.88 TLR7 (0.51) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL5748389 0.88 TLR7 (0.51) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3866902 0.88 TLR7 (0.48) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL6838387 0.88 TLR7 (0.48) TLR7ADORA2ALMNAPOLBHRH2
Hydrochloric Acid SCHEMBL4863790 0.87 TLR7 (0.50) TLR7ADORA2ALMNAPOLBHRH2
Hydrochloric Acid SCHEMBL3863250 0.87 TLR7 (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US claimed
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP claimed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed