SCHEMBL5025463

SCHEMBL5025463

Cc1ccc(Nc2ncc(F)c(Nc3cc(C)c(OCCC#N)c(C)c3)n2)cc1S(N)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 17/20 0.59
▸ AURKA O14965 4/20 0.59
▸ CDK2 P24941 3/20 0.59
▸ PLK4 O00444 2/20 0.59
▸ PDPK1 O15530 2/20 0.59
▸ DAPK3 O43293 2/20 0.59
▸ JAK2 O60674 2/20 0.59
▸ MAP4K4 O95819 2/20 0.59
▸ PAK4 O96013 2/20 0.59
▸ CHEK2 O96017 2/20 0.59
▸ ERBB2 P04626 2/20 0.59
▸ NTRK1 P04629 2/20 0.59
▸ PRKCG P05129 2/20 0.59
▸ INSR P06213 2/20 0.59
▸ LCK P06239 2/20 0.59
▸ FYN P06241 2/20 0.59
▸ CDK1 P06493 2/20 0.59
▸ LYN P07948 2/20 0.59
▸ RET P07949 2/20 0.59
▸ ROS1 P08922 2/20 0.59

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
SCHEMBL5025437 0.91 EGFR (0.59) SYKAURKACDK2PLK4PDPK1
SCHEMBL4002471 0.91 SYK (0.61) SYKAURKACDK2PLK4PDPK1
SCHEMBL5025433 0.90 CDK2 (0.51) SYKAURKACDK2PLK4PDPK1
SCHEMBL5026195 0.88 JAK3 (0.53) SYKAURKACDK2PLK4PDPK1
SCHEMBL5023930 0.87 EGFR (0.54) SYKAURKACDK2PLK4PDPK1
SCHEMBL4002759 0.87 SYK (0.56) SYKAURKACDK2PLK4PDPK1
SCHEMBL5026199 0.86 SYK (0.64) SYKAURKACDK2PLK4PDPK1
SCHEMBL4007751 0.86 SYK (0.59) SYKAURKACDK2PLK4PDPK1
SCHEMBL4003329 0.84 SYK (0.57) SYKAURKACDK2PLK4PDPK1
SCHEMBL3997748 0.84 SYK (0.61) SYKAURKACDK2PLK4PDPK1

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
Send feedback