SCHEMBL19005106

SCHEMBL19005106

CNc1nccnc1-c1ccc2nc(Nc3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)ccn3)[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.78

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
SCHEMBL18985336 0.91 TBK1 (0.80) TBK1
SCHEMBL18985224 0.89 TBK1 (0.81) TBK1
SCHEMBL18985530 0.87 TBK1 (1.00) TBK1
SCHEMBL18985400 0.87 TBK1 (1.00) TBK1
SCHEMBL18985310 0.87 TBK1 (0.86) TBK1
SCHEMBL18985393 0.87 TBK1 (1.00) TBK1
SCHEMBL18985341 0.87 TBK1 (1.00) TBK1
SCHEMBL18985493 0.86 TBK1 (1.00) TBK1
SCHEMBL19005409 0.86 TBK1 (1.00) TBK1
SCHEMBL20732730 0.86 TBK1 (0.81) TBK1

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
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed