SCHEMBL18985223

SCHEMBL18985223

O=C(O)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5cc(NC6CCC6)ncn5)cc4[nH]3)c2)CC1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.86
ULK1 O75385 1/20 0.66
FLT3 P36888 1/20 0.66
IKBKE Q14164 1/20 0.66
STK17A Q9UEE5 1/20 0.66
RPS6KA6 Q9UK32 1/20 0.66

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
SCHEMBL18985592 0.93 TBK1 (1.00) TBK1
SCHEMBL18985882 0.90 TBK1 (1.00) TBK1ULK1FLT3IKBKESTK17A
SCHEMBL18985869 0.90 TBK1 (1.00) TBK1
SCHEMBL19005665 0.90 TBK1 (0.95) TBK1
SCHEMBL19005279 0.89 TBK1 (0.79) TBK1IKBKE
Hydrochloric Acid SCHEMBL20720855 0.89 TBK1 (0.78) TBK1IKBKE
SCHEMBL20720903 0.88 TBK1 (0.77) TBK1ULK1FLT3IKBKESTK17A
SCHEMBL20720824 0.87 TBK1 (1.00) TBK1ULK1FLT3IKBKESTK17A
SCHEMBL18985308 0.87 TBK1 (1.00) TBK1
SCHEMBL19005278 0.86 TBK1 (0.78) TBK1ULK1FLT3IKBKESTK17A

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 claimed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO claimed