SCHEMBL1433362

SCHEMBL1433362

CC1CN(Cc2nc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4c3cnn4C)cs2)CC(C)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.42
PIK3CD O00329 5/20 0.42
PIK3CB P42338 5/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CG P48736 4/20 0.42
GSK3B P49841 2/20 0.42
HPGDS O60760 3/20 0.35
ATR Q13535 2/20 0.34
ABL1 P00519 1/20 0.34
CLK2 P49760 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CHRNA7 P36544 1/20 0.33
KCNH2 Q12809 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL2214792 1.00 PIM1 (0.42) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL2215093 0.88 PIK3CD (0.58) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL15387466 0.85 PIM1 (0.41) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1771949 0.81 IDO1 (0.39) PIM1CLK2LRRK2
SCHEMBL2213348 0.80 PIK3CD (0.56) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1960291 0.78 PIK3CD (0.56) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1252933 0.77 PIK3CD (0.68) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1120003 0.77 PIK3CD (0.41) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1779380 0.77 PIK3CD (0.53) PIM1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1772516 0.76 PIK3CD (0.51) PIK3CDPIK3CBPIK3CAPIK3CG

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-2300437-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES Glaxo Group Limited (GB) 2011-03-30 EP disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed