SCHEMBL2562149

SCHEMBL2562149

C=CS(=O)(=O)NC1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.80
▸ LCK P06239 5/20 0.73
▸ EGFR P00533 4/20 0.73
▸ ITK Q08881 3/20 0.73
▸ LYN P07948 2/20 0.73
▸ SRC P12931 2/20 0.73
▸ ABL1 P00519 1/20 0.73
▸ ERBB2 P04626 1/20 0.73
▸ FYN P06241 1/20 0.73
▸ YES1 P07947 1/20 0.73
▸ HCK P08631 1/20 0.73
▸ FGR P09769 1/20 0.73
▸ FER P16591 1/20 0.73
▸ CSK P41240 1/20 0.73
▸ TEC P42680 1/20 0.73
▸ BLK P51451 1/20 0.73
▸ BMX P51813 1/20 0.73
▸ JAK3 P52333 1/20 0.73
▸ PTK6 Q13882 1/20 0.73
▸ ERBB4 Q15303 1/20 0.73

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
SCHEMBL2562146 1.00 BTK (0.80) BTKLCKEGFRITKLYN
SCHEMBL410198 1.00 BTK (0.80) BTKLCKEGFRITKLYN
SCHEMBL15163859 1.00 BTK (0.80) BTKLCKEGFRITKLYN
SCHEMBL17951813 0.89 BTK (1.00) BTKLCKEGFRITKLYN
SCHEMBL13542424 0.88 BTK (0.64) BTKLCKEGFRITKLYN
SCHEMBL19649322 0.85 BTK (0.75) BTKLCKEGFRITKLYN
SCHEMBL201745 0.85 BTK (1.00) BTKLCKEGFRITKLYN
SCHEMBL793463 0.85 BTK (1.00) BTKLCKEGFRITKLYN
SCHEMBL201744 0.85 BTK (1.00) BTKLCKEGFRITKLYN
SCHEMBL460731 0.85 BTK (1.00) BTKLCKEGFRITKLYN

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
EP-2201840-B1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS INC (US) 2011-11-02 — — EP claimed
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