SCHEMBL14748416

SCHEMBL14748416

Nc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.81
PIK3CD O00329 1/20 0.80
PIK3CB P42338 1/20 0.80
PIK3CG P48736 1/20 0.80
ROCK2 O75116 1/20 0.52

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
SCHEMBL1821372 0.90 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1826429 0.89 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1821854 0.89 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1820153 0.89 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1823772 0.89 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1818238 0.89 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL14748414 0.88 PIK3CA (0.82) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL10328013 0.88 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2470746 0.87 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1822136 0.87 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CGROCK2

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-2316831-B1 2-(morpholin-4-yl)pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer NOVARTIS AG (CH) 2013-03-06 EP disclosed