SCHEMBL5025951

SCHEMBL5025951

CC(CC(N)=O)Oc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.63
EGFR P00533 7/20 0.63
ITK Q08881 6/20 0.63
JAK3 P52333 5/20 0.63
BTK Q06187 5/20 0.63
JAK2 O60674 4/20 0.63
LYN P07948 4/20 0.63
CDK2 P24941 4/20 0.63
PLK4 O00444 3/20 0.63
AURKA O14965 3/20 0.63
PDPK1 O15530 3/20 0.63
DAPK3 O43293 3/20 0.63
MAP4K4 O95819 3/20 0.63
PAK4 O96013 3/20 0.63
CHEK2 O96017 3/20 0.63
ERBB2 P04626 3/20 0.63
NTRK1 P04629 3/20 0.63
PRKCG P05129 3/20 0.63
INSR P06213 3/20 0.63
LCK P06239 3/20 0.63

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
SCHEMBL4003178 0.89 SYK (0.61) SYKEGFRITKJAK3BTK
SCHEMBL5029402 0.87 SYK (0.69) SYKEGFRITKJAK3BTK
SCHEMBL4253356 0.86 SYK (0.80) SYKEGFRITKJAK3BTK
SCHEMBL5027963 0.84 SYK (0.67) SYKEGFRITKJAK3BTK
SCHEMBL4001607 0.84 SYK (0.59) SYKEGFRITKJAK3BTK
SCHEMBL4002996 0.82 SYK (0.61) SYKEGFRITKJAK3BTK
SCHEMBL4006083 0.82 SYK (0.77) SYKEGFRITKJAK3BTK
SCHEMBL4005663 0.82 SYK (0.70) SYKEGFRITKJAK3BTK
SCHEMBL3998382 0.81 SYK (0.67) SYKEGFRITKJAK3BTK
SCHEMBL4005818 0.81 JAK3 (0.71) SYKITKJAK3BTKJAK2

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