SCHEMBL18985387

SCHEMBL18985387

COc1ccncc1-c1ccc2nc(Nc3ncccc3CN3CCN(C(=O)CC4CC4)CC3)[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.76

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
SCHEMBL18985633 0.96 TBK1 (0.76) TBK1
SCHEMBL18986187 0.86 TBK1 (0.75) TBK1
SCHEMBL18985798 0.86 TBK1 (0.73) TBK1
SCHEMBL19003994 0.86 TBK1 (1.00) TBK1
SCHEMBL18985708 0.83 TBK1 (0.75) TBK1
SCHEMBL18985776 0.83 TBK1 (0.76) TBK1
SCHEMBL19005199 0.82 TBK1 (1.00) TBK1
SCHEMBL18985888 0.81 TBK1 (0.74) TBK1
SCHEMBL18985742 0.79 TBK1 (0.75) TBK1
SCHEMBL19005235 0.78 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 4 patents. claimed = in the patent's claims; disclosed = body only.

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