SCHEMBL6246355

SCHEMBL6246355

COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)cc1.Clc1cnc2[nH]c(-c3ccc(NCCN4CCOCC4)cc3)nc2c1Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.47
IKBKE Q14164 1/20 0.47
JAK1 P23458 9/20 0.43
JAK2 O60674 6/20 0.42
JAK3 P52333 4/20 0.41
SYK P43405 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PDPK1 O15530 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
FLT3 P36888 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
LMNA P02545 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
SCHEMBL4842934 0.81 MEN1 (0.49) TBK1IKBKEALDH1A1KDM4EGAA
SCHEMBL4834658 0.77 JAK1 (0.52) TBK1JAK1JAK2JAK3SYK
SCHEMBL22223723 0.73 SMN1; SMN2 (0.51) ALDH1A1GAALMNA
SCHEMBL4842844 0.73 IKBKE (0.45) TBK1IKBKEALDH1A1KDM4EKMT2A
SCHEMBL4840443 0.72 TBK1 (0.73) TBK1IKBKEJAK1JAK2JAK3
SCHEMBL4833993 0.72 TBK1 (0.79) TBK1IKBKEJAK1JAK2JAK3
SCHEMBL6248111 0.71 TBK1 (0.65) TBK1IKBKEJAK1
SCHEMBL4838835 0.70 TBK1 (0.64) TBK1IKBKEJAK1ALDH1A1KDM4E
SCHEMBL4838927 0.68 TBK1 (0.58) TBK1IKBKEALDH1A1KDM4EFLT3
SCHEMBL4843679 0.67 TBK1 (0.78) 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