SCHEMBL17723004

SCHEMBL17723004

C=CS(=O)(=O)NCCC(CCC)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.52
▸ BTK Q06187 17/20 0.51
▸ EGFR P00533 5/20 0.51
▸ LCK P06239 5/20 0.51
▸ JAK3 P52333 5/20 0.51
▸ ITK Q08881 5/20 0.51
▸ NUDT14 O95848 1/20 0.50
▸ NUDT5 Q9UKK9 1/20 0.50
▸ ABL1 P00519 1/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ YES1 P07947 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ HCK P08631 1/20 0.47
▸ FGR P09769 1/20 0.47
▸ FER P16591 1/20 0.47
▸ CSK P41240 1/20 0.47
▸ TEC P42680 1/20 0.47
▸ BLK P51451 1/20 0.47
▸ BMX P51813 1/20 0.47

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
SCHEMBL410076 0.81 BTK (0.72) SRCBTKEGFRLCKJAK3
SCHEMBL19176242 0.79 NUDT14 (0.58) SRCBTKEGFRLCKNUDT14
SCHEMBL27586498 0.77 NUDT14 (0.58) SRCBTKEGFRLCKJAK3
SCHEMBL25069027 0.74 SRC (0.76) SRCEGFRLCKNUDT14NUDT5
SCHEMBL22364026 0.74 FYN (0.55) SRCEGFRABL1FYNHCK
SCHEMBL2601379 0.73 BTK (0.63) SRCBTKEGFRLCKJAK3
SCHEMBL19335171 0.73 FYN (0.52) SRCEGFRABL1FYNHCK
SCHEMBL2562149 0.72 BTK (0.80) SRCBTKEGFRLCKJAK3
SCHEMBL2562146 0.72 BTK (0.80) SRCBTKEGFRLCKJAK3
SCHEMBL15163859 0.72 BTK (0.80) SRCBTKEGFRLCKJAK3

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-2081435-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-05-04 — — EP disclosed
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