SCHEMBL6218461

SCHEMBL6218461

Brc1cnc2[nH]c(-c3ccc(OCCNC4CCCC4)cc3)nc2c1.OC1(c2ccccc2)CCN(CCOc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.44
LTA4H P09960 2/20 0.43
ACHE P22303 6/20 0.43
ALDH1A1 P00352 2/20 0.39
IKBKE Q14164 4/20 0.39
CHEK2 O96017 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK2 P24941 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL4842188 0.91 LTA4H (0.51) TBK1LTA4HACHEALDH1A1IKBKE
Trifluoroacetic Acid SCHEMBL4842767 0.87 LTA4H (0.46) TBK1LTA4HACHEALDH1A1CHEK2
SCHEMBL4844677 0.83 KDM4E (0.47) TBK1ALDH1A1IKBKECHEK2MEN1
Trifluoroacetic Acid SCHEMBL4844409 0.81 ALDH1A1 (0.46) TBK1ALDH1A1CHEK2MEN1KMT2A
SCHEMBL6218463 0.79 LTA4H (0.34) TBK1LTA4HACHEALDH1A1IKBKE
SCHEMBL4838238 0.79 ABCB1 (0.45) ALDH1A1
SCHEMBL5260412 0.78 CHEK2 (0.41) TBK1ALDH1A1CHEK2
SCHEMBL4844406 0.78 ACHE (0.61) TBK1LTA4HACHEIKBKECHEK2
SCHEMBL4834728 0.78 CHEK2 (0.40) TBK1ACHEALDH1A1CHEK2
SCHEMBL4840409 0.78 ACHE (0.48) TBK1LTA4HACHEIKBKECHEK2

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