SCHEMBL17004656

SCHEMBL17004656

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCCC2)nc(N2CCOCC2)n1

nearest known ligand 0.94

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.94
PIK3CA P42336 13/20 0.94
PIK3CD O00329 12/20 0.79
PIK3R1 P27986 11/20 0.79
PIK3CG P48736 1/20 0.75

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
SCHEMBL2770694 0.99 PIK3CB (0.92) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL3563102 0.97 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL31157034 0.92 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477354 0.92 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL17011984 0.92 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL31157030 0.91 PIK3CB (0.88) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477252 0.91 PIK3CB (0.88) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477412 0.91 PIK3CA (0.80) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL31157031 0.90 PIK3CA (0.86) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477406 0.90 PIK3CA (0.79) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411387-B1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY VETDC INC (US) 2015-08-19 EP claimed