SCHEMBL12801546

SCHEMBL12801546

COc1ccc(Nc2nccc(-c3ccc(OC(C)(C)C)c(N)c3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.53
PIK3CA P42336 6/20 0.53
PIK3CB P42338 6/20 0.53
JAK2 O60674 4/20 0.53
CDK2 P24941 3/20 0.53
EGFR P00533 2/20 0.53
PTK2B Q14289 1/20 0.53
CDK5 Q00535 3/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CDK5R1 Q15078 1/20 0.49
IKBKB O14920 2/20 0.48
CDK4 P11802 1/20 0.48
GSK3B P49841 1/20 0.48
DYRK1A Q13627 2/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PRKD3 O94806 2/20 0.47
PRKCG P05129 2/20 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
SCHEMBL12801541 0.91 JAK2 (0.56) PIK3CGPIK3CAPIK3CBJAK2CDK2
SCHEMBL12801115 0.87 PIK3CG (0.57) PIK3CGPIK3CAPIK3CBJAK2CDK2
SCHEMBL12800912 0.86 JAK2 (0.53) PIK3CGPIK3CAPIK3CBJAK2CDK2
SCHEMBL12801558 0.85 JAK2 (0.51) PIK3CGPIK3CAPIK3CBJAK2CDK2
SCHEMBL12801645 0.85 PIK3CG (0.55) PIK3CGPIK3CAPIK3CBJAK2CDK2
SCHEMBL12801101 0.85 JAK2 (0.58) PIK3CGPIK3CAPIK3CBJAK2CDK2
SCHEMBL12274201 0.85 PIK3CA (0.50) PIK3CGPIK3CAPIK3CBJAK2CDK2
SCHEMBL12801296 0.84 JAK2 (0.52) PIK3CGPIK3CAPIK3CBJAK2CDK2
SCHEMBL12800916 0.83 JAK2 (0.53) PIK3CGPIK3CAPIK3CBJAK2CDK2
SCHEMBL12800361 0.83 JAK2 (0.52) PIK3CGPIK3CAPIK3CBJAK2CDK2

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
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed