SCHEMBL28111978

SCHEMBL28111978

Cc1ccc(S(=O)(=O)c2ccnc3[nH]ccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.48
CHUK O15111 6/20 0.48
MET P08581 1/20 0.47
COMT P21964 4/20 0.46
NEK1 Q96PY6 4/20 0.44
GAA P10253 1/20 0.43
PRKCI P41743 2/20 0.42
AXL P30530 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NUDT1 P36639 1/20 0.42
ROCK1 Q13464 1/20 0.41

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
SCHEMBL17818444 0.86 MET (0.45) METCOMTGAAMEN1KMT2A
SCHEMBL5137242 0.85 MET (0.64) IKBKBCHUKMETNEK1PRKCI
SCHEMBL5531006 0.79 AXL (0.54) IKBKBCHUKCOMTGAAPRKCI
SCHEMBL28094884 0.78 MET (0.76) METCOMTAXLMEN1KMT2A
SCHEMBL28028675 0.78 IKBKB (0.52) IKBKBCHUKNEK1PRKCIAXL
SCHEMBL16493719 0.77 MAPT (0.43) GAAPRKCIAXLMEN1KMT2A
SCHEMBL3616327 0.77 GAA (0.43) COMTGAAMEN1KMT2A
SCHEMBL27969602 0.77 IKBKB (0.49) IKBKBCHUKGAAMEN1KMT2A
SCHEMBL7032135 0.76 GRM5 (0.41) COMTPRKCIAXLMEN1KMT2A
SCHEMBL12605441 0.75 TNNI3K (0.53) IKBKBCHUKNEK1PRKCIAXL

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
CN-106470993-B The azepine quinazoline inhibitor of Atypical protein kinase C 癌症研究科技有限公司 2019-08-27 CN disclosed
CN-106470993-A The azepine quinazoline inhibitor of Atypical protein kinase C 癌症研究科技有限公司 2017-03-01 CN disclosed