SCHEMBL15744110

SCHEMBL15744110

CN1C=CNC1c1sc(N2CCOCC2)c(C#N)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.56
MTOR P42345 4/20 0.56
PIK3R1 P27986 4/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AR P10275 1/20 0.37
CRHR1 P34998 1/20 0.36
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 2/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL17244452 0.78 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL7996325 0.77 PIK3CA (0.64) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1550849 0.75 PIK3CA (0.60) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552109 0.75 PIK3CA (0.64) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552152 0.74 PIK3CA (0.69) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1551282 0.74 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8005706 0.74 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL15744120 0.73 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552029 0.73 PIK3CA (0.64) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1551287 0.73 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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
EP-2313399-B1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARM INC (US) 2014-05-28 EP disclosed