SCHEMBL5090974

SCHEMBL5090974

COc1ccc(Nc2nc(Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)c(OC)c3)ncc2F)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.55
ITK Q08881 3/20 0.55
AURKA O14965 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
SYK P43405 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BTK Q06187 1/20 0.49
BCL6 P41182 2/20 0.48
LMNA P02545 1/20 0.47
MAPK8 P45983 2/20 0.47
MAPK9 P45984 2/20 0.47
ALPL P05186 2/20 0.47
PLK4 O00444 1/20 0.46
PDPK1 O15530 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46

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
SCHEMBL4001033 0.88 EGFR (0.59) EGFRITKAURKASYKBTK
SCHEMBL5090979 0.84 EGFR (0.54) EGFRITKAURKASMN1; SMN2HTT
SCHEMBL656063 0.83 EGFR (0.69) EGFRITKAURKASYKBCL6
SCHEMBL12726559 0.80 GLO1 (0.56) EGFRITKAURKASYKBCL6
SCHEMBL16182647 0.80 SYK (0.56) EGFRITKAURKASYKBTK
SCHEMBL4001986 0.80 SYK (0.58) EGFRITKAURKASYKBTK
SCHEMBL5090970 0.79 EGFR (0.56) EGFRITKAURKASYKKMT2A
SCHEMBL3999711 0.77 SYK (0.63) EGFRITKAURKASYK
SCHEMBL1034753 0.77 GLO1 (0.70) EGFRITKAURKASYKMAPK8
SCHEMBL3999305 0.77 SYK (0.59) EGFRITKAURKASYKBTK

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