SCHEMBL5024009

SCHEMBL5024009

Cc1cc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)ccc1OCCC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.61
▸ JAK3 P52333 7/20 0.61
▸ SYK P43405 7/20 0.61
▸ ITK Q08881 5/20 0.61
▸ JAK2 O60674 3/20 0.61
▸ TYK2 P29597 3/20 0.61
▸ BTK Q06187 3/20 0.61
▸ CDK1 P06493 3/20 0.61
▸ CDK2 P24941 3/20 0.61
▸ PLK4 O00444 2/20 0.61
▸ AURKA O14965 2/20 0.61
▸ PDPK1 O15530 2/20 0.61
▸ DAPK3 O43293 2/20 0.61
▸ MAP4K4 O95819 2/20 0.61
▸ PAK4 O96013 2/20 0.61
▸ CHEK2 O96017 2/20 0.61
▸ ERBB2 P04626 2/20 0.61
▸ NTRK1 P04629 2/20 0.61
▸ PRKCG P05129 2/20 0.61
▸ INSR P06213 2/20 0.61

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
SCHEMBL4002237 0.92 SYK (0.70) EGFRJAK3SYKITKJAK2
SCHEMBL5025512 0.91 SYK (0.59) EGFRJAK3SYKITKJAK2
SCHEMBL5025045 0.89 EGFR (0.64) EGFRJAK3SYKITKJAK2
SCHEMBL5027963 0.88 SYK (0.67) EGFRJAK3SYKITKJAK2
SCHEMBL4002793 0.85 JAK3 (0.64) EGFRJAK3SYKITKJAK2
SCHEMBL4003228 0.85 JAK3 (0.56) EGFRJAK3SYKITKJAK2
SCHEMBL3999425 0.84 SYK (0.68) EGFRJAK3SYKITKJAK2
SCHEMBL3999939 0.84 SYK (0.65) EGFRJAK3SYKITKJAK2
SCHEMBL4005533 0.84 SYK (0.60) EGFRJAK3SYKITKJAK2
SCHEMBL5025428 0.83 SYK (0.53) EGFRJAK3SYKITKJAK2

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
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