SCHEMBL5026195

SCHEMBL5026195

Cc1cc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)cc(C)c1OCCC#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 8/20 0.53
▸ SYK P43405 8/20 0.53
▸ CDK2 P24941 6/20 0.53
▸ CDK1 P06493 5/20 0.53
▸ CDK5 Q00535 3/20 0.53
▸ AURKA O14965 3/20 0.53
▸ BTK Q06187 3/20 0.53
▸ NTRK1 P04629 3/20 0.53
▸ CDC7 O00311 2/20 0.53
▸ PLK4 O00444 2/20 0.53
▸ CHEK1 O14757 2/20 0.53
▸ DCLK1 O15075 2/20 0.53
▸ PDPK1 O15530 2/20 0.53
▸ DAPK3 O43293 2/20 0.53
▸ JAK2 O60674 2/20 0.53
▸ ROCK2 O75116 2/20 0.53
▸ MAP4K4 O95819 2/20 0.53
▸ PAK4 O96013 2/20 0.53
▸ CHEK2 O96017 2/20 0.53
▸ ABL1 P00519 2/20 0.53

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
SCHEMBL3997856 0.91 SYK (0.62) JAK3SYKCDK2CDK1CDK5
SCHEMBL5025433 0.91 CDK2 (0.51) JAK3SYKCDK2CDK1CDK5
SCHEMBL5025463 0.88 SYK (0.59) JAK3SYKCDK2CDK1CDK5
SCHEMBL5025579 0.87 SYK (0.68) JAK3SYKCDK2CDK1CDK5
SCHEMBL5025512 0.86 SYK (0.59) JAK3SYKCDK2CDK1CDK5
SCHEMBL4002841 0.85 JAK3 (0.55) JAK3SYKCDK2CDK1CDK5
SCHEMBL4000186 0.85 JAK3 (0.52) JAK3SYKCDK2CDK1CDK5
SCHEMBL4002793 0.84 JAK3 (0.64) JAK3SYKCDK2CDK1CDK5
SCHEMBL3999425 0.84 SYK (0.68) JAK3SYKCDK2CDK1CDK5
SCHEMBL5023858 0.83 EGFR (0.51) JAK3SYKCDK2CDK1CDK5

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
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