SCHEMBL5028122

SCHEMBL5028122

N#CCCOc1ccc(Nc2nc(Nc3ccc(F)c(S(N)(=O)=O)c3)ncc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 16/20 0.59
▸ EGFR P00533 5/20 0.59
▸ ITK Q08881 4/20 0.59
▸ AURKA O14965 3/20 0.59
▸ JAK2 O60674 3/20 0.59
▸ LYN P07948 3/20 0.59
▸ JAK3 P52333 3/20 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
▸ 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

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
SCHEMBL4006618 0.91 SYK (0.73) SYKEGFRITKAURKAJAK2
SCHEMBL5025494 0.89 SYK (0.55) SYKEGFRITKAURKAJAK2
SCHEMBL5138500 0.89 SYK (0.63) SYKEGFRITKAURKAJAK2
SCHEMBL5023930 0.88 EGFR (0.54) SYKEGFRITKAURKAJAK2
SCHEMBL5025579 0.87 SYK (0.68) SYKEGFRITKAURKAJAK2
SCHEMBL4007312 0.86 SYK (0.58) SYKEGFRITKAURKAJAK2
SCHEMBL4006632 0.85 SYK (0.54) SYKEGFRITKAURKAJAK2
SCHEMBL5138413 0.84 SYK (0.56) SYKEGFRITKAURKAJAK2
SCHEMBL1474899 0.84 SYK (0.70) SYKEGFRITKAURKAJAK2
SCHEMBL3997140 0.83 SYK (0.72) SYKEGFRITKAURKAJAK2

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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