SCHEMBL4338542

SCHEMBL4338542

Oc1ccccc1-c1nc(C2=CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.51
MTOR P42345 16/20 0.51
PIK3CG P48736 15/20 0.51
FLT3 P36888 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38

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
SCHEMBL4318031 0.88 ADORA1 (0.43) PIK3CAMTORPIK3CGALDH1A1MAPT
SCHEMBL4020168 0.87 PIK3CA (0.69) PIK3CAMTORPIK3CG
SCHEMBL7884075 0.86 PIK3CA (0.47) PIK3CAMTORPIK3CGFLT3AKT1
SCHEMBL4027076 0.85 PIK3CA (0.60) PIK3CAMTORPIK3CG
SCHEMBL4182834 0.85 PIK3CA (0.69) PIK3CAMTORPIK3CG
SCHEMBL4019431 0.85 PIK3CA (0.45) PIK3CAMTORPIK3CG
SCHEMBL7884103 0.82 PIK3CA (0.48) PIK3CAMTORPIK3CG
SCHEMBL4026472 0.80 PIK3CA (0.60) PIK3CAMTORPIK3CG
SCHEMBL4024504 0.79 PIK3CA (0.61) PIK3CAMTORPIK3CG
SCHEMBL4025453 0.77 PIK3CA (0.71) PIK3CAMTORPIK3CG

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-2009097490-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed