SCHEMBL7863395

SCHEMBL7863395

CC1(C)CCc2ncnc(N3CCOc4ccc(-c5cnc(=N)[nH]c5)cc4C3)c2C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.35
PIK3CD O00329 8/20 0.35
PIK3CG P48736 8/20 0.35
PIK3CB P42338 7/20 0.35
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
KIT P10721 1/20 0.30

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
SCHEMBL859085 0.87 STK4 (0.31) PIK3CAPIK3CDPIK3CGKIT
SCHEMBL856623 0.85 PIK3CA (0.36) PIK3CAPIK3CDPIK3CGPIK3CBUSP2
SCHEMBL3806243 0.85 PIK3CA (0.44) PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL859260 0.85 PIK3CA (0.35) PIK3CAPIK3CDPIK3CGPIK3CBUSP2
SCHEMBL3750629 0.85 PIK3CA (0.34) PIK3CAPIK3CDPIK3CGPIK3CBUSP2
SCHEMBL3760570 0.84 PIK3CA (0.37) PIK3CAPIK3CGLMNA
SCHEMBL3756904 0.84 PIK3CA (0.34) PIK3CAPIK3CDPIK3CGPIK3CBUSP2
SCHEMBL3751018 0.84 PIK3CA (0.46) PIK3CAUSP2ALDH1A1LMNACYP1A2
SCHEMBL3758825 0.84 PDE10A (0.41) PIK3CAPIK3CDPIK3CGPIK3CBKIT
SCHEMBL3762381 0.84 PIK3CA (0.34) PIK3CAPIK3CDPIK3CGPIK3CBUSP2

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-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed