SCHEMBL19004980

SCHEMBL19004980

CN(C)c1ncnc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)c1O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.65
IKBKE Q14164 2/20 0.64
FLT3 P36888 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
RPS6KA6 Q9UK32 1/20 0.64

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
SCHEMBL19005009 0.91 TBK1 (0.75) TBK1IKBKEFLT3TMEM97RPS6KA6
SCHEMBL19005191 0.91 TBK1 (0.76) TBK1IKBKEFLT3TMEM97RPS6KA6
SCHEMBL19005335 0.91 TBK1 (0.68) TBK1IKBKEFLT3TMEM97RPS6KA6
Hydrochloric Acid SCHEMBL20721052 0.90 TBK1 (0.75) TBK1IKBKEFLT3TMEM97RPS6KA6
Hydrochloric Acid SCHEMBL20720921 0.90 TBK1 (0.74) TBK1IKBKEFLT3TMEM97RPS6KA6
SCHEMBL19004975 0.89 TBK1 (0.76) TBK1IKBKEFLT3TMEM97RPS6KA6
Hydrochloric Acid SCHEMBL18985986 0.89 TBK1 (0.75) TBK1IKBKEFLT3TMEM97RPS6KA6
SCHEMBL19004938 0.88 TBK1 (0.74) TBK1IKBKEFLT3TMEM97RPS6KA6
Hydrochloric Acid SCHEMBL20720847 0.87 TBK1 (0.73) TBK1IKBKEFLT3TMEM97RPS6KA6
SCHEMBL19005380 0.87 TBK1 (0.86) 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