SCHEMBL5063592

SCHEMBL5063592

C#CCOc1ccc(Nc2nc(Nc3ccc(CC)c(S(N)(=O)=O)c3)ncc2C2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.48
▸ SYK P43405 6/20 0.45
▸ NTRK1 P04629 5/20 0.45
▸ ITK Q08881 4/20 0.45
▸ JAK2 O60674 4/20 0.45
▸ JAK3 P52333 4/20 0.45
▸ CDK1 P06493 4/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ KDR P35968 4/20 0.45
▸ AURKA O14965 4/20 0.45
▸ PLK4 O00444 3/20 0.45
▸ PDPK1 O15530 3/20 0.45
▸ DAPK3 O43293 3/20 0.45
▸ MAP4K4 O95819 3/20 0.45
▸ PAK4 O96013 3/20 0.45
▸ CHEK2 O96017 3/20 0.45
▸ ERBB2 P04626 3/20 0.45
▸ PRKCG P05129 3/20 0.45
▸ INSR P06213 3/20 0.45
▸ LCK P06239 3/20 0.45

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
SCHEMBL1474744 0.92 EGFR (0.54) EGFRSYKNTRK1ITKJAK2
SCHEMBL5059058 0.84 CDK1 (0.51) EGFRSYKNTRK1ITKJAK2
SCHEMBL1474611 0.81 SYK (0.57) EGFRSYKNTRK1ITKJAK2
SCHEMBL1474672 0.80 JAK3 (0.60) EGFRSYKNTRK1ITKJAK2
SCHEMBL1607189 0.80 JAK3 (0.60) EGFRSYKNTRK1ITKJAK2
SCHEMBL1474409 0.77 STK17A (0.57) EGFRSYKNTRK1ITKJAK2
SCHEMBL1275642 0.77 SYK (0.72) EGFRSYKNTRK1ITKJAK2
SCHEMBL1474614 0.76 SYK (0.56) EGFRSYKNTRK1ITKJAK2
SCHEMBL1606869 0.75 CDK1 (0.57) EGFRSYKNTRK1ITKJAK2
SCHEMBL1475626 0.75 CDK1 (0.57) EGFRSYKNTRK1ITKJAK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-07-03 — — WO claimed
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