SCHEMBL5025911

SCHEMBL5025911

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 18/20 0.64
▸ AURKA O14965 3/20 0.64
▸ CDK2 P24941 3/20 0.64
▸ PLK4 O00444 2/20 0.64
▸ PDPK1 O15530 2/20 0.64
▸ DAPK3 O43293 2/20 0.64
▸ JAK2 O60674 2/20 0.64
▸ MAP4K4 O95819 2/20 0.64
▸ PAK4 O96013 2/20 0.64
▸ CHEK2 O96017 2/20 0.64
▸ ERBB2 P04626 2/20 0.64
▸ NTRK1 P04629 2/20 0.64
▸ PRKCG P05129 2/20 0.64
▸ INSR P06213 2/20 0.64
▸ LCK P06239 2/20 0.64
▸ FYN P06241 2/20 0.64
▸ CDK1 P06493 2/20 0.64
▸ LYN P07948 2/20 0.64
▸ RET P07949 2/20 0.64
▸ ROS1 P08922 2/20 0.64

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
SCHEMBL5138413 0.94 SYK (0.56) SYKAURKACDK2PLK4PDPK1
SCHEMBL5140267 0.89 SYK (0.51) SYKAURKACDK2PLK4PDPK1
SCHEMBL4005358 0.89 SYK (0.65) SYKAURKACDK2PLK4PDPK1
SCHEMBL5026161 0.89 SYK (0.58) SYKAURKACDK2PLK4PDPK1
SCHEMBL3997140 0.87 SYK (0.72) SYKAURKACDK2PLK4PDPK1
SCHEMBL5029402 0.86 SYK (0.69) SYKAURKACDK2PLK4PDPK1
SCHEMBL4004184 0.83 SYK (0.70) SYKAURKACDK2PLK4PDPK1
SCHEMBL4001524 0.83 SYK (0.67) SYKAURKACDK2PLK4PDPK1
SCHEMBL4003147 0.83 SYK (0.64) SYKAURKACDK2PLK4PDPK1
SCHEMBL4002829 0.82 SYK (0.57) 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 disclosed
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 — — WO disclosed
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