SCHEMBL5508561

SCHEMBL5508561

Cc1nc(N)c2nc(C=O)n(CC(C)C)c2c1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
TLR7 Q9NYK1 8/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HRH2 P25021 1/20 0.30
ADRA1D P25100 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
NUDT1 P36639 1/20 0.30
HTR2B P41595 1/20 0.30
PDE4D Q08499 1/20 0.30
KCNH2 Q12809 1/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL8113615 0.81 TLR7 (0.40) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL842243 0.81 PDE4D (0.37) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL2059416 0.81 TLR7 (0.32) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL2059415 0.81 TLR7 (0.32) ADORA2AADORA3ADORA2BADORA1TLR7
Hydrochloric Acid SCHEMBL2059226 0.78 TLR7 (0.41) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL5119127 0.77 TLR7 (0.40) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL8114799 0.77 TLR7 (0.42) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL2058818 0.76 TLR7 (0.41) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL842373 0.74 TLR7 (0.33) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL5457128 0.73 TLR7 (0.38) TLR7LMNATLR8

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-1846405-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED IMIDAZO 4,5-C RING COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-10-24 EP disclosed
WO-2006086634-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 WO disclosed