SCHEMBL477629

SCHEMBL477629

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

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.78
PIK3R1 P27986 18/20 0.78
PIK3CD O00329 17/20 0.78
PIK3CB P42338 12/20 0.78

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
SCHEMBL909981 0.91 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2813823 0.90 PIK3CA (0.73) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL909174 0.88 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL6524525 0.88 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL477254 0.88 PIK3R1 (1.00) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL6526256 0.87 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL6525372 0.87 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL909478 0.87 PIK3CA (0.81) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL477961 0.85 PIK3CA (0.70) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL6526192 0.85 PIK3CA (0.77) PIK3CAPIK3R1PIK3CDPIK3CB

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