SCHEMBL5504493

SCHEMBL5504493

CC(C)Cc1cc(-c2ccccc2)cc2nc(N)c3nc(CO)[nH]c3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40
NLRP3 Q96P20 3/20 0.39
TLR7 Q9NYK1 5/20 0.35
TLR8 Q9NR97 2/20 0.35
NPY5R Q15761 2/20 0.33
TYMS P04818 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
SGK1 O00141 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HRH2 P25021 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
NUDT1 P36639 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
SCHEMBL5504392 0.89 MAPT (0.34) ADORA2AADORA3ADORA1ADORA2BNLRP3
SCHEMBL4069055 0.73 PRMT5 (0.34) ADORA2AADORA3ADORA1
SCHEMBL4068898 0.72 TLR7 (0.34) TLR7
SCHEMBL3862404 0.71 TLR8 (0.37) ADORA2AADORA3ADORA1TLR7TLR8
SCHEMBL3977482 0.71 TLR7 (0.37) ADORA2AADORA3ADORA1ADORA2BTLR7
SCHEMBL5509023 0.71 KDM4E (0.36) ADORA2AADORA3ADORA1ADORA2BTLR7
Hydrochloric Acid SCHEMBL9134401 0.70 TLR7 (0.36) ADORA2ATLR7TLR8KDM4EMAPT
SCHEMBL4586839 0.70 TLR7 (0.38) ADORA2AADORA3ADORA1ADORA2BTLR7
SCHEMBL5275496 0.69 TLR7 (0.31) TLR7KCNH2
SCHEMBL8322469 0.68 HTT (0.36) TLR7TLR8POLBSMN1; SMN2

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