SCHEMBL8008941

SCHEMBL8008941

Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.65
PIK3CA P42336 18/20 0.65
PIK3R1 P27986 7/20 0.65
PIK3CD O00329 1/20 0.53
PIK3C2B O00750 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
PRKDC P78527 1/20 0.53
RICTOR Q6R327 1/20 0.53
RPTOR Q8N122 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
MAPKAP1 Q9BPZ7 1/20 0.53
MLST8 Q9BVC4 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
PARP1 P09874 1/20 0.45

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
SCHEMBL8008817 0.89 PIK3CA (0.63) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
SCHEMBL8012142 0.87 PIK3CA (0.72) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1309506 0.81 PIK3CA (1.00) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL7999965 0.78 PIK3CA (0.74) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL8001512 0.77 PIK3CA (0.69) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
SCHEMBL29434910 0.74 PIK3CA (0.85) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL18193210 0.74 PIK3CA (0.85) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL10328003 0.74 TDP1 (0.67) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
SCHEMBL16908138 0.73 PIK3CA (0.82) MTORPIK3CAPIK3R1PIK3CDPIK3CG
SCHEMBL18771918 0.73 PIK3CA (0.77) MTORPIK3CAPIK3R1PIK3CDPIK3CG

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
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed