SCHEMBL5025512

SCHEMBL5025512

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 8/20 0.59
▸ JAK3 P52333 7/20 0.59
▸ CDK2 P24941 6/20 0.59
▸ CDK1 P06493 5/20 0.59
▸ EGFR P00533 3/20 0.59
▸ CDK5 Q00535 3/20 0.59
▸ AURKA O14965 3/20 0.59
▸ JAK2 O60674 3/20 0.59
▸ TYK2 P29597 3/20 0.59
▸ NTRK1 P04629 3/20 0.59
▸ BTK Q06187 2/20 0.59
▸ PLK4 O00444 2/20 0.59
▸ PDPK1 O15530 2/20 0.59
▸ DAPK3 O43293 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
▸ PRKCG P05129 2/20 0.59
▸ INSR P06213 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
SCHEMBL3999425 0.91 SYK (0.68) SYKJAK3CDK2CDK1EGFR
SCHEMBL5024009 0.91 EGFR (0.61) SYKJAK3CDK2CDK1EGFR
SCHEMBL5025428 0.91 SYK (0.53) SYKJAK3CDK2CDK1EGFR
SCHEMBL5026199 0.88 SYK (0.64) SYKJAK3CDK2CDK1EGFR
SCHEMBL5027963 0.87 SYK (0.67) SYKJAK3CDK2CDK1EGFR
SCHEMBL5026195 0.86 JAK3 (0.53) SYKJAK3CDK2CDK1EGFR
SCHEMBL4007208 0.85 JAK3 (0.55) SYKJAK3CDK2CDK1EGFR
SCHEMBL3997856 0.84 SYK (0.62) SYKJAK3CDK2CDK1EGFR
SCHEMBL4002237 0.84 SYK (0.70) SYKJAK3CDK2CDK1EGFR
SCHEMBL3996029 0.81 SYK (0.59) SYKJAK3CDK2CDK1EGFR

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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