SCHEMBL5029402

SCHEMBL5029402

Cc1ccc(Nc2ncc(F)c(Nc3ccc(OC(C)CC(N)=O)cc3)n2)cc1S(N)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.69
AURKA O14965 5/20 0.69
EGFR P00533 4/20 0.69
ITK Q08881 3/20 0.69
PLK4 O00444 2/20 0.69
PDPK1 O15530 2/20 0.69
DAPK3 O43293 2/20 0.69
JAK2 O60674 2/20 0.69
MAP4K4 O95819 2/20 0.69
PAK4 O96013 2/20 0.69
CHEK2 O96017 2/20 0.69
ERBB2 P04626 2/20 0.69
NTRK1 P04629 2/20 0.69
PRKCG P05129 2/20 0.69
INSR P06213 2/20 0.69
LCK P06239 2/20 0.69
FYN P06241 2/20 0.69
CDK1 P06493 2/20 0.69
CSF1R P07333 2/20 0.69
LYN P07948 2/20 0.69

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
SCHEMBL4004184 0.89 SYK (0.70) SYKAURKAEGFRITKPLK4
SCHEMBL5025951 0.87 SYK (0.63) SYKAURKAEGFRITKPLK4
SCHEMBL3999712 0.87 SYK (0.83) SYKAURKAEGFRITKPLK4
SCHEMBL5025911 0.86 SYK (0.64) SYKAURKAEGFRITKPLK4
SCHEMBL5025041 0.85 SYK (0.75) SYKAURKAEGFRITKPLK4
SCHEMBL4005358 0.83 SYK (0.65) SYKAURKAEGFRITKPLK4
SCHEMBL4002565 0.82 SYK (0.71) SYKAURKAEGFRITKPLK4
SCHEMBL3998391 0.82 SYK (0.71) SYKAURKAEGFRITKPLK4
SCHEMBL4001030 0.82 SYK (1.00) SYKAURKAEGFRITKPLK4
SCHEMBL4004181 0.81 SYK (0.61) SYKAURKAEGFRITKPLK4

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 disclosed
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 WO disclosed