SCHEMBL5504392

SCHEMBL5504392

CC(C)Cc1cc(-c2cccnc2)cc2nc(N)c3nc(CO)[nH]c3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
DYRK1A Q13627 5/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
BACE1 P56817 1/20 0.32
LRRK2 Q5S007 1/20 0.32
NLRP3 Q96P20 1/20 0.32
KDM4E B2RXH2 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
STAT1 P42224 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5504493 0.89 ADORA2A (0.40) MAPTADORA3ADORA2AADORA2BADORA1
SCHEMBL5501817 0.81 CSF1R (0.39) MAPTHTTDYRK1A
SCHEMBL5500726 0.73 DHFR (0.34) MAPTHTTNLRP3DHFRCYP19A1
Hydrochloric Acid SCHEMBL6762416 0.70 MKNK1 (0.33) MAPTHTTDYRK1AMKNK1MKNK2
SCHEMBL20943829 0.69 NLRP3 (0.41) MAPTHTTDYRK1AMKNK1MKNK2
SCHEMBL6762448 0.68 TLR8 (0.35) DHFR
SCHEMBL4068898 0.68 TLR7 (0.34)
SCHEMBL3862404 0.68 TLR8 (0.37) ADORA3ADORA2AADORA1
SCHEMBL3977482 0.68 TLR7 (0.37) MAPTADORA3ADORA2AADORA2BADORA1
SCHEMBL5509023 0.67 KDM4E (0.36) MAPTADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851218-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed