SCHEMBL18986166

SCHEMBL18986166

CC(C)Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)O)C(C(C)(C)C)C5)ccn4)[nH]c3c2)n1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.72
IKBKE Q14164 6/20 0.70
FLT3 P36888 2/20 0.70
CCNT1 O60563 1/20 0.56
CDK9 P50750 1/20 0.56
STK17A Q9UEE5 1/20 0.56
RPS6KA6 Q9UK32 1/20 0.56

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
SCHEMBL18985540 0.84 TBK1 (1.00) TBK1IKBKEFLT3
SCHEMBL18986010 0.84 TBK1 (0.81) TBK1IKBKEFLT3
SCHEMBL18985879 0.82 TBK1 (1.00) TBK1IKBKEFLT3CCNT1CDK9
SCHEMBL19004993 0.82 TBK1 (0.78) TBK1IKBKEFLT3
SCHEMBL18985907 0.82 TBK1 (0.69) TBK1
SCHEMBL18985629 0.82 TBK1 (0.71) TBK1
Hydrochloric Acid SCHEMBL18985771 0.81 TBK1 (0.77) TBK1IKBKEFLT3
SCHEMBL18985820 0.81 TBK1 (0.69) TBK1IKBKEFLT3CCNT1CDK9
SCHEMBL18985765 0.81 TBK1 (0.72) TBK1
SCHEMBL18986031 0.80 TBK1 (0.69) 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 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 disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed