SCHEMBL19003993

SCHEMBL19003993

COc1ccncc1-c1ccc2nc(Nc3cc(CN4CCN(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
SCHEMBL19004873 0.92 TBK1 (0.76) TBK1
Hydrochloric Acid SCHEMBL20721082 0.91 TBK1 (0.75) TBK1
SCHEMBL18985852 0.88 TBK1 (1.00) TBK1
SCHEMBL18985458 0.87 TBK1 (1.00) TBK1
SCHEMBL18985881 0.87 TBK1 (0.90) TBK1
SCHEMBL19003994 0.87 TBK1 (1.00) TBK1
SCHEMBL19005276 0.86 TBK1 (0.82) TBK1
SCHEMBL19005088 0.85 TBK1 (0.77) TBK1
Hydrochloric Acid SCHEMBL20720898 0.85 TBK1 (0.76) TBK1
SCHEMBL20732707 0.85 TBK1 (0.77) 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