SCHEMBL6244115

SCHEMBL6244115

Clc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1NC1CCCC1.Clc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 15/20 0.65
IKBKE Q14164 5/20 0.65
JAK1 P23458 3/20 0.53
JAK2 O60674 2/20 0.53
JAK3 P52333 1/20 0.53
ACHE P22303 1/20 0.44
CDK2 P24941 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL4839205 0.93 TBK1 (0.75) TBK1IKBKEJAK1JAK2ACHE
SCHEMBL4834843 0.92 TBK1 (0.77) TBK1IKBKEJAK1JAK2JAK3
SCHEMBL4833993 0.82 TBK1 (0.79) TBK1IKBKEJAK1JAK2JAK3
SCHEMBL4833971 0.80 TBK1 (0.78) TBK1IKBKEJAK1JAK2ACHE
SCHEMBL4838932 0.80 TBK1 (0.69) TBK1IKBKEJAK1JAK2JAK3
SCHEMBL4846026 0.80 TBK1 (1.00) TBK1IKBKEJAK1JAK2JAK3
SCHEMBL4842291 0.77 TBK1 (0.73) TBK1IKBKEJAK1JAK2JAK3
SCHEMBL4842171 0.77 TBK1 (0.65) TBK1IKBKEJAK1ACHE
SCHEMBL6249645 0.77 TBK1 (0.77) TBK1IKBKEJAK1ACHEAURKB
SCHEMBL4840452 0.77 TBK1 (0.72) TBK1IKBKEJAK1JAK2JAK3

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-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO disclosed