SCHEMBL2370123

SCHEMBL2370123

O=C(O)/C=C(\C(=O)O)C1(O)CCC(Nc2cc(CNC3CCOCC3)cc(Nc3nc4cccnc4s3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.48
LCK P06239 3/20 0.43
AURKB Q96GD4 3/20 0.43
SSTR5 P35346 1/20 0.34
MAPK1 P28482 5/20 0.33
RORC P51449 1/20 0.33
DHODH Q02127 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
HCK P08631 2/20 0.31
BTK Q06187 2/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL2370121 0.82 ITK (0.47) ITKLCKAURKBSSTR5RORC
SCHEMBL2370951 0.82 ITK (0.59) ITKLCKAURKBSSTR5IRAK4
SCHEMBL2370961 0.82 ITK (0.59) ITKLCKAURKBSSTR5IRAK4
SCHEMBL2398982 0.70 ITK (0.57) ITKLCKAURKBSSTR5RORC
SCHEMBL2398991 0.70 ITK (0.57) ITKLCKAURKBSSTR5RORC
SCHEMBL2370517 0.69 ITK (0.66) ITKLCKAURKBSSTR5IRAK4
SCHEMBL2370507 0.69 ITK (0.66) ITKLCKAURKBSSTR5IRAK4
SCHEMBL2394365 0.68 ITK (0.61) ITKLCKAURKBSSTR5IRAK4
SCHEMBL2394354 0.68 ITK (0.61) ITKLCKAURKBSSTR5IRAK4
SCHEMBL807541 0.67 ITK (0.55) ITKLCKAURKBSSTR5RORC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed