SCHEMBL19005276

SCHEMBL19005276

COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(C)CC4)ccn3)[nH]c2c1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.82

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
SCHEMBL19004084 0.92 TBK1 (0.80) TBK1
Hydrochloric Acid SCHEMBL18985573 0.91 TBK1 (0.78) TBK1
SCHEMBL19004972 0.91 TBK1 (0.80) TBK1
SCHEMBL19004966 0.90 TBK1 (1.00) TBK1
SCHEMBL18985273 0.90 TBK1 (1.00) TBK1
SCHEMBL18985659 0.89 TBK1 (1.00) TBK1
SCHEMBL19005274 0.89 TBK1 (1.00) TBK1
SCHEMBL18985548 0.88 TBK1 (1.00) TBK1
SCHEMBL19004974 0.88 TBK1 (0.81) TBK1
SCHEMBL19005428 0.88 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