SCHEMBL477863

SCHEMBL477863

COc1cccc2c1nc(C(F)F)n2-c1nc(C2=CCOCC2)nc(N2CCN(C(=O)O)C(C(C)(C)C)C2)n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.55
PIK3CB P42338 12/20 0.55
PIK3R1 P27986 17/20 0.52
PIK3CD O00329 16/20 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
SCHEMBL2813385 0.84 PIK3CA (0.58) PIK3CAPIK3CBPIK3R1PIK3CD
SCHEMBL909478 0.77 PIK3CA (0.81) PIK3CAPIK3CBPIK3R1PIK3CD
SCHEMBL2813677 0.75 PIK3CA (0.64) PIK3CAPIK3CBPIK3R1PIK3CD
SCHEMBL2790348 0.75 PIK3CA (0.69) PIK3CAPIK3CBPIK3R1PIK3CD
SCHEMBL2813608 0.73 PIK3CA (0.65) PIK3CAPIK3CBPIK3R1PIK3CD
SCHEMBL3563102 0.73 PIK3CB (1.00) PIK3CAPIK3CBPIK3R1PIK3CD
SCHEMBL1044485 0.73 PIK3CA (0.71) PIK3CAPIK3CBPIK3R1PIK3CD
SCHEMBL477961 0.73 PIK3CA (0.70) PIK3CAPIK3CBPIK3R1PIK3CD
SCHEMBL909981 0.72 PIK3CA (0.78) PIK3CAPIK3CBPIK3R1PIK3CD
SCHEMBL2813788 0.72 PIK3CA (0.64) PIK3CAPIK3CBPIK3R1PIK3CD

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-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP disclosed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed