SCHEMBL760691

SCHEMBL760691

Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)ncc2N2CCOCC2)cn1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.68
PIK3CA P42336 15/20 0.68
PIK3R1 P27986 3/20 0.68
PIK3CD O00329 2/20 0.68
PIK3C2B O00750 2/20 0.68
PIK3CB P42338 2/20 0.68
PIK3CG P48736 2/20 0.68
PRKDC P78527 2/20 0.68
PIK3C3 Q8NEB9 2/20 0.68
PI4KB Q9UBF8 2/20 0.68
RICTOR Q6R327 1/20 0.68
RPTOR Q8N122 1/20 0.68
MAPKAP1 Q9BPZ7 1/20 0.68
MLST8 Q9BVC4 1/20 0.68
AKR1C3 P42330 1/20 0.63
PIK3R5 Q8WYR1 1/20 0.63

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
SCHEMBL10327825 0.82 MTOR (0.69) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
SCHEMBL10327809 0.81 PIK3CA (0.67) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
Bimiralisib SCHEMBL1309049 0.81 PIK3CA (1.00) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
Bimiralisib SCHEMBL29352266 0.81 PIK3CA (1.00) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
Bimiralisib SCHEMBL29644978 0.80 PIK3CA (0.98) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
Bimiralisib SCHEMBL18428577 0.80 PIK3CA (0.98) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
SCHEMBL10328002 0.80 PIK3CA (0.72) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
Bimiralisib SCHEMBL17204454 0.79 PIK3CA (0.95) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
Bimiralisib SCHEMBL29644974 0.79 PIK3CA (0.95) MTORPIK3CAPIK3R1PIK3CDPIK3C2B
SCHEMBL13016293 0.79 PIK3R1 (0.83) MTORPIK3CAPIK3R1PIK3CDPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP claimed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP claimed
EP-2429516-A2 COMBINATION OF A PBOSPBOINOSITKLE 3-KS ASE INHIBITOR AND AN ANTIDIABETIC COMPOUND Novartis AG (CH) 2012-03-21 EP disclosed
WO-2010130779-A2 COMBINATION OF A PBOSPBOINOSITKLE 3-KSπASE INHIBITOR AND AN ANTIDIABETIC COMPOUND NOVARTIS AG (CH) 2010-11-18 WO disclosed