SCHEMBL5023797

SCHEMBL5023797

NC(=O)CCOc1ccc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.60
AURKA O14965 6/20 0.56
EGFR P00533 5/20 0.56
AURKB Q96GD4 4/20 0.56
CDK2 P24941 4/20 0.56
JAK2 O60674 4/20 0.56
ITK Q08881 4/20 0.56
LYN P07948 3/20 0.56
JAK3 P52333 3/20 0.56
PLK4 O00444 2/20 0.56
PDPK1 O15530 2/20 0.56
DAPK3 O43293 2/20 0.56
MAP4K4 O95819 2/20 0.56
PAK4 O96013 2/20 0.56
CHEK2 O96017 2/20 0.56
ERBB2 P04626 2/20 0.56
NTRK1 P04629 2/20 0.56
PRKCG P05129 2/20 0.56
INSR P06213 2/20 0.56
LCK P06239 2/20 0.56

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
SCHEMBL5027963 0.91 SYK (0.67) SYKAURKAEGFRAURKBCDK2
SCHEMBL4008830 0.90 SYK (0.74) SYKAURKAEGFRAURKBCDK2
SCHEMBL5025428 0.87 SYK (0.53) SYKAURKAEGFRAURKBCDK2
SCHEMBL5025041 0.87 SYK (0.75) SYKAURKAEGFRAURKBCDK2
SCHEMBL5138500 0.84 SYK (0.63) SYKAURKAEGFRAURKBCDK2
SCHEMBL1474196 0.84 AURKA (0.58) SYKAURKAEGFRAURKBCDK2
SCHEMBL3999388 0.83 SYK (0.78) SYKAURKAEGFRAURKBCDK2
SCHEMBL4003509 0.82 SYK (0.63) SYKAURKAEGFRAURKBCDK2
SCHEMBL1476160 0.82 SYK (0.62) SYKAURKAEGFRAURKBCDK2
SCHEMBL3998901 0.82 AURKA (0.58) SYKAURKAEGFRAURKBCDK2

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 4 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
EP-1904457-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-04-02 EP disclosed
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 WO disclosed