SCHEMBL5090979

SCHEMBL5090979

COc1ccc(Nc2nc(Nc3cccc(OC)c3S(=O)(=O)Nc3ccc(C)cc3)ncc2F)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.54
ITK Q08881 2/20 0.54
SYK P43405 4/20 0.49
BTK Q06187 1/20 0.47
AURKA O14965 6/20 0.47
PTK2 Q05397 1/20 0.45
BCL6 P41182 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 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
SCHEMBL5090974 0.84 EGFR (0.55) EGFRITKSYKBTKAURKA
SCHEMBL656063 0.77 EGFR (0.69) EGFRITKSYKAURKABCL6
SCHEMBL1034753 0.77 GLO1 (0.70) EGFRITKSYKAURKAPTK2
SCHEMBL12726559 0.76 GLO1 (0.56) EGFRITKSYKAURKAPTK2
SCHEMBL4001033 0.75 EGFR (0.59) EGFRITKSYKBTKAURKA
SCHEMBL655720 0.73 SYK (0.76) EGFRITKSYKAURKA
SCHEMBL656282 0.73 SYK (0.76) EGFRITKSYKAURKA
SCHEMBL1036318 0.72 AURKA (0.54) EGFRITKSYKAURKAPTK2
SCHEMBL1035455 0.72 SYK (0.58) EGFRITKSYKBTKAURKA
SCHEMBL1035385 0.72 GLO1 (0.67) EGFRAURKAPTK2

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-1904457-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-04-02 EP claimed
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 WO claimed