SCHEMBL4816241

SCHEMBL4816241

Cc1cn(C(C)(C)C)nc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
PKM P14618 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGER1 P34995 1/20 0.32
PDK2 Q15119 1/20 0.32
HTT P42858 1/20 0.32
STAT1 P42224 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MYC P01106 1/20 0.31
LMNA P02545 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
KAT2B Q92831 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL23113939 0.79 PDK2 (0.34) KDM4EPKMKMT2AGRNSORT1
SCHEMBL6683087 0.79 KDM4E (0.36) KDM4EPKMGRNSORT1MAPK1
SCHEMBL5906720 0.78 SSTR5 (0.35) KDM4EPKMMEN1KMT2AGRN
SCHEMBL19449357 0.74 ALKBH1 (0.38) KDM4EKMT2AGRNSORT1PDK2
SCHEMBL17646571 0.74 KDM4E (0.39) KDM4EPKMMEN1KMT2AMAPK1
SCHEMBL3209466 0.74 L3MBTL1 (0.43) ALDH1A1LMNATSHR
SCHEMBL631704 0.74 KDM4E (0.39) KDM4EKMT2AMAPK1PTGER1LMNA
SCHEMBL23401916 0.73
SCHEMBL19121426 0.71 KDM4E (0.34) KDM4EKMT2AGRNSORT1PDK2
SCHEMBL920103 0.69 PDK2 (0.32) PDK2

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
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed