SCHEMBL9738683

SCHEMBL9738683

CC(=O)Cc1nc2cnc3ccccc3c2n1CC(C)C.CC(C)Cn1c(CC(C)O)nc2cnc3ccccc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.46
TLR8 Q9NR97 2/20 0.46
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
ADORA2A P29274 1/20 0.35
ADRA1A P35348 1/20 0.35
NUDT1 P36639 1/20 0.35
HTR2B P41595 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR2 P34972 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 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
SCHEMBL6726435 0.93 LMNA (0.42) TLR7TLR8LMNANPSR1ALDH1A1
SCHEMBL6723871 0.92 TLR7 (0.52) TLR7TLR8LMNANPSR1ALDH1A1
SCHEMBL10589469 0.84 TLR7 (0.52) TLR7TLR8LMNANPSR1ALDH1A1
SCHEMBL6730743 0.83 TLR7 (0.41) TLR7TLR8LMNANPSR1ALDH1A1
SCHEMBL6724391 0.81 TLR7 (0.40) TLR7TLR8LMNANPSR1ALDH1A1
SCHEMBL6719567 0.81 TLR7 (0.43) TLR7TLR8LMNANPSR1ALDH1A1
SCHEMBL5808827 0.79 LMNA (0.53) TLR7TLR8LMNANPSR1ALDH1A1
SCHEMBL8565615 0.79 TSHR (0.47) TLR7TLR8LMNANPSR1ALDH1A1
SCHEMBL6719520 0.79 TLR7 (0.42) TLR7TLR8LMNANPSR1ALDH1A1
SCHEMBL4314545 0.79 ALDH1A1 (0.39) TLR7TLR8LMNANPSR1ALDH1A1

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
WO-1992015582-A1 1-SUBSTITUTED, 2-SUBSTITUTED 1H-IMIDAZO[4,5-c]QUINOLIN-4-AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-17 WO disclosed