SCHEMBL19005222

SCHEMBL19005222

O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5ncnc(NC6CC6)c5O)cc4[nH]3)c2)CC1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.86

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
SCHEMBL18985225 0.92 TBK1 (1.00) TBK1
SCHEMBL19005275 0.92 TBK1 (0.86) TBK1
SCHEMBL18985729 0.90 TBK1 (1.00) TBK1
SCHEMBL20720860 0.90 TBK1 (1.00) TBK1
SCHEMBL19005054 0.89 TBK1 (0.85) TBK1
SCHEMBL19005380 0.88 TBK1 (0.86) TBK1
SCHEMBL18985495 0.87 TBK1 (1.00) TBK1
SCHEMBL18985869 0.86 TBK1 (1.00) TBK1
SCHEMBL18985760 0.85 TBK1 (1.00) TBK1
SCHEMBL18985670 0.85 TBK1 (1.00) 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