SCHEMBL4586839

SCHEMBL4586839

CC(C)Cc1cccc2nc(N)c3nc(CON)[nH]c3c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.38
TLR8 Q9NR97 4/20 0.38
DHFR P00374 8/20 0.33
DCPS Q96C86 8/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
PRKCD Q05655 1/20 0.33
PAK1 Q13153 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 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
SCHEMBL3977482 0.86 TLR7 (0.37) TLR7TLR8DHFRADORA3ADORA2A
SCHEMBL3862404 0.86 TLR8 (0.37) TLR7TLR8CSNK1A1CSNK1DPRKCD
Hydrochloric Acid SCHEMBL9134401 0.85 TLR7 (0.36) TLR7TLR8DHFRADORA2A
SCHEMBL5507090 0.81 ELANE (0.33) TLR7TLR8CSNK1A1CSNK1DPRKCD
SCHEMBL8322469 0.80 HTT (0.36) TLR7TLR8
SCHEMBL9388928 0.76 TLR8 (0.35) TLR7TLR8CSNK1A1CSNK1DPRKCD
SCHEMBL5271662 0.76 TLR8 (0.43) TLR8DHFRCSNK1A1CSNK1DPRKCD
SCHEMBL1692289 0.75 TLR7 (0.39) TLR7TLR8DHFRCSNK1A1CSNK1D
SCHEMBL18588106 0.75 TLR8 (0.42) TLR7TLR8DHFRCSNK1A1CSNK1D
SCHEMBL4654594 0.73 TLR7 (0.39) TLR7TLR8DCPS

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-1685129-A4 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-22 EP disclosed
EP-1685129-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
WO-2005048933-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed