SCHEMBL18969742

SCHEMBL18969742

CN(C)CCCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.80
IKBKE Q14164 8/20 0.75

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
SCHEMBL14059147 0.89 TBK1 (0.80) TBK1IKBKE
SCHEMBL14059077 0.89 TBK1 (1.00) TBK1IKBKE
SCHEMBL14059490 0.88 TBK1 (0.79) TBK1IKBKE
SCHEMBL14059034 0.88 TBK1 (1.00) TBK1IKBKE
SCHEMBL14059709 0.87 TBK1 (0.87) TBK1IKBKE
SCHEMBL14058915 0.87 TBK1 (1.00) TBK1IKBKE
SCHEMBL14059372 0.86 TBK1 (1.00) TBK1IKBKE
SCHEMBL14059234 0.85 TBK1 (1.00) TBK1IKBKE
SCHEMBL14059191 0.85 TBK1 (1.00) TBK1IKBKE
SCHEMBL14059219 0.82 TBK1 (1.00) TBK1IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714668-B9 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-14 EP disclosed