SCHEMBL18985708

SCHEMBL18985708

Cc1nccc(-c2ccc3nc(Nc4ncccc4CN4CCN(C(=O)CC5CC5)CC4)[nH]c3c2)n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.75
IKBKE Q14164 1/20 0.59

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
SCHEMBL18985776 0.91 TBK1 (0.76) TBK1IKBKE
SCHEMBL18985590 0.86 TBK1 (1.00) TBK1IKBKE
SCHEMBL18985798 0.86 TBK1 (0.73) TBK1IKBKE
SCHEMBL18985633 0.83 TBK1 (0.76) TBK1
SCHEMBL18985387 0.83 TBK1 (0.76) TBK1
SCHEMBL18986121 0.80 TBK1 (0.72) TBK1IKBKE
SCHEMBL18985622 0.80 TBK1 (0.75) TBK1
SCHEMBL20732706 0.79 TBK1 (0.75) TBK1IKBKE
SCHEMBL18985364 0.79 TBK1 (1.00) TBK1
SCHEMBL18986058 0.79 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390387-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 EP disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed