SCHEMBL5750059

SCHEMBL5750059

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.49
PDE4D Q08499 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
ADORA2A P29274 1/20 0.44
ADRA1A P35348 1/20 0.44
NUDT1 P36639 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR7 P34969 1/20 0.36
TLR8 Q9NR97 9/20 0.36
DRD2 P14416 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
PARP1 P09874 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 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
SCHEMBL5747381 0.89 TLR7 (0.49) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL5749840 0.87 TLR7 (0.49) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3866212 0.87 TLR7 (0.49) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3862410 0.86 TLR7 (0.52) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL5748389 0.85 TLR7 (0.51) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3863897 0.85 TLR7 (0.51) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL3866902 0.85 TLR7 (0.48) TLR7PDE4DLMNAPOLBHRH2
SCHEMBL6838387 0.85 TLR7 (0.48) TLR7PDE4DLMNAPOLBHRH2
Hydrochloric Acid SCHEMBL4863790 0.85 TLR7 (0.50) TLR7PDE4DLMNAPOLBHRH2
Hydrochloric Acid SCHEMBL3863250 0.85 TLR7 (0.50) 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-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