SCHEMBL477246

SCHEMBL477246

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N(CCCO)C2CCCN(C(=O)O)C2)n1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.71
PIK3CD O00329 19/20 0.71
PIK3R1 P27986 19/20 0.71
PIK3CB P42338 13/20 0.64

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
SCHEMBL477746 0.92 PIK3CA (0.73) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2815323 0.92 PIK3CA (0.67) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL6525372 0.88 PIK3CA (0.78) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL6526256 0.88 PIK3CA (0.78) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477336 0.86 PIK3CD (0.76) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477404 0.86 PIK3CA (0.76) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477300 0.85 PIK3CA (0.70) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL910057 0.84 PIK3CA (0.77) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL6523951 0.84 PIK3CA (0.77) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477629 0.83 PIK3CA (0.78) PIK3CAPIK3CDPIK3R1PIK3CB

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