SCHEMBL477878

SCHEMBL477878

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCCC(N)C2)n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.77
PIK3CB P42338 15/20 0.77
PIK3CD O00329 18/20 0.73
PIK3R1 P27986 18/20 0.73

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
SCHEMBL2811946 1.00 PIK3CA (0.77) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL2810668 1.00 PIK3CA (0.77) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL909755 0.95 PIK3CA (0.80) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL2814453 0.95 PIK3CA (0.80) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477495 0.95 PIK3CA (0.80) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477433 0.92 PIK3CA (0.85) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477268 0.90 PIK3CA (0.85) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL2810449 0.89 PIK3CA (0.76) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL17004656 0.89 PIK3CB (0.94) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL6519726 0.88 PIK3CA (0.81) 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