SCHEMBL19005445

SCHEMBL19005445

CN(CC1CC1)c1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)CC(F)(F)F)CC5)ccn4)[nH]c3c2)c1O

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.85
FLT3 P36888 1/20 0.75
IKBKE Q14164 1/20 0.75
TMEM97 Q5BJF2 1/20 0.75
RPS6KA6 Q9UK32 1/20 0.75

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
SCHEMBL18985892 0.92 TBK1 (1.00) TBK1FLT3IKBKETMEM97RPS6KA6
SCHEMBL19005494 0.92 TBK1 (0.87) TBK1FLT3IKBKETMEM97RPS6KA6
SCHEMBL19005512 0.88 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6
SCHEMBL19005208 0.87 TBK1 (0.88) TBK1
SCHEMBL19005335 0.87 TBK1 (0.68) TBK1FLT3IKBKETMEM97RPS6KA6
SCHEMBL19005517 0.86 TBK1 (1.00) TBK1FLT3IKBKETMEM97RPS6KA6
Bay-440 SCHEMBL20720802 0.86 TBK1 (1.00) TBK1FLT3IKBKETMEM97RPS6KA6
SCHEMBL19005495 0.85 TBK1 (1.00) TBK1FLT3IKBKETMEM97RPS6KA6
SCHEMBL18985422 0.84 TBK1 (1.00) TBK1FLT3IKBKETMEM97RPS6KA6
SCHEMBL19005481 0.84 TBK1 (1.00) TBK1FLT3IKBKETMEM97RPS6KA6

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