SCHEMBL5545225

SCHEMBL5545225

CCCCOC(=O)N1CCC(Oc2ccc3c(c2)nc(N)c2nc(CCC)sc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.46
TLR7 Q9NYK1 5/20 0.46
P2RY12 Q9H244 10/20 0.40
GPR119 Q8TDV5 2/20 0.38
SMYD3 Q9H7B4 1/20 0.38

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
SCHEMBL16456577 0.89 TLR8 (0.52) TLR8TLR7
SCHEMBL5090696 0.89 TLR8 (0.46) TLR8TLR7GPR119
SCHEMBL5090688 0.80 TLR8 (0.54) TLR8TLR7
SCHEMBL2401186 0.75 TLR8 (0.59) TLR8TLR7
SCHEMBL5087214 0.74 TLR8 (0.58) TLR8TLR7
SCHEMBL5087087 0.74 GPR119 (0.43) GPR119
SCHEMBL1528031 0.73 TLR8 (0.65) TLR8TLR7
SCHEMBL5087268 0.73 TLR8 (0.48) TLR8TLR7
SCHEMBL15379831 0.73 LMNA (0.49) P2RY12GPR119
SCHEMBL5095707 0.73 TLR8 (0.59) TLR8TLR7

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-1846419-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-24 EP disclosed
WO-2006086449-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 WO disclosed