SCHEMBL27928358

SCHEMBL27928358

COC(=O)c1sc(C(C)(C)C)cc1CCBr

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
RAF1 P04049 15/20 0.46
MAPK14 Q16539 8/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46

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
SCHEMBL161941 0.88 L3MBTL1 (0.60) L3MBTL1MAPTPKMRAF1MAPK14
SCHEMBL10264809 0.76 L3MBTL1 (0.53) L3MBTL1MAPTPKMRAF1MAPK14
SCHEMBL1912421 0.76 RAF1 (0.51) L3MBTL1MAPTPKMRAF1MAPK14
SCHEMBL24212419 0.75 L3MBTL1 (0.46) L3MBTL1MAPTPKMRAF1MAPK14
SCHEMBL161668 0.74 RAF1 (0.56) L3MBTL1MAPTPKMRAF1MAPK14
SCHEMBL9965178 0.73 RAF1 (0.51) L3MBTL1MAPTPKMRAF1MAPK14
SCHEMBL173108 0.73 RAF1 (0.56) L3MBTL1MAPTRAF1MAPK14MAPK13
SCHEMBL24212638 0.72 MAPT (0.44) L3MBTL1MAPTPKMRAF1MAPK14
SCHEMBL14467713 0.72 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL15662368 0.72 L3MBTL1 (0.49) L3MBTL1MAPTPKMRAF1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103201277-B Pyridazinone, its preparation method and using method GILEAD CONNECTICUT, INC. (US) 2015-11-25 CN disclosed
CN-104812746-A Bruton's tyrosine kinase inhibitors HOFFMANN LA ROCHE 2015-07-29 CN disclosed
CN-104662024-A Tyrosine Kinase Inhibitors HOFFMANN LA ROCHE 2015-05-27 CN disclosed
CN-103201277-A Pyridazinones, method of making, and method of use thereof GILEAD CONNECTICUT INC 2013-07-10 CN disclosed
CN-103189369-A Pyridone/pyrazinones, methods of making, and methods of use thereof GILEAD CONNECTICUT INC 2013-07-03 CN disclosed