SCHEMBL2467713

SCHEMBL2467713

c1ccc(COc2cccc(-c3cc([N]c4ccc5[nH]ncc5c4)nc(N4CCOCC4)n3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.57
CDC7 O00311 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
PIK3CD O00329 1/20 0.51
PRKDC P78527 1/20 0.43
ATM Q13315 1/20 0.43
PRMT5 O14744 1/20 0.41
CYP11B2 P19099 1/20 0.41
GRIA1 P42261 1/20 0.40

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
SCHEMBL1822064 0.84 PIK3CA (0.80) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL13219299 0.77 PRKDC (0.55) PIK3CAPIK3CBPIK3CGPRKDCATM
SCHEMBL1821760 0.74 PIK3CA (0.84) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL2473407 0.73 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL13201846 0.72 PIK3CA (0.87) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL2962548 0.72 PRKDC (0.54) PIK3CAPIK3CBPIK3CGPRKDCATM
SCHEMBL1820931 0.72 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL12656244 0.71 CYP1A2 (0.50) PIK3CAPIK3CBPIK3CGPRKDCATM
SCHEMBL2470746 0.71 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1568863 0.70 SRC (0.53) PIK3CAPIK3CGPRKDCATMPRMT5

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-1575940-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-10-05 EP claimed