SCHEMBL2473407

SCHEMBL2473407

OCCOc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 1.00
PIK3CD O00329 2/20 0.75
PIK3CB P42338 2/20 0.75
PIK3CG P48736 1/20 0.75
ROCK2 O75116 1/20 0.57

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
SCHEMBL13201846 0.93 PIK3CA (0.87) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1821760 0.91 PIK3CA (0.84) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1820669 0.90 PIK3CA (0.82) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1822064 0.89 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL2470746 0.88 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL2960907 0.86 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1821956 0.86 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1820153 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1821854 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL14748414 0.85 PIK3CA (0.82) 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 7 patents. 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
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
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 disclosed
EP-2316831-A1 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer Novartis AG (CH) 2011-05-04 EP disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed