SCHEMBL477982

SCHEMBL477982

COc1cccc2c1nc(C(F)F)n2-c1nc(-c2ccc(NC(=O)O)cc2)nc(N2CCOCC2)n1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.71
PIK3CB P42338 14/20 0.71
PIK3CD O00329 14/20 0.64
PIK3R1 P27986 14/20 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
SCHEMBL900032 0.90 PIK3CA (0.66) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477673 0.89 PIK3CB (0.77) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477736 0.86 PIK3CB (0.80) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL952221 0.85 PIK3CB (0.83) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477550 0.85 PIK3CA (0.68) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL3563102 0.84 PIK3CB (1.00) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL899498 0.83 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL909478 0.83 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL909456 0.83 PIK3CA (0.76) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477551 0.83 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3R1

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