SCHEMBL8090759

SCHEMBL8090759

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)C4CC4)CCNCC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.41
PIK3CA P42336 12/20 0.41
PIK3CD O00329 7/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CB P42338 1/20 0.41
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIK3R1 P27986 1/20 0.35
SMG1 Q96Q15 1/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL8093447 0.92 MTOR (0.43) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8083874 0.90 MTOR (0.47) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8092629 0.89 MTOR (0.48) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8090739 0.89 PIK3CA (0.40) MTORPIK3CAPIK3CDPIK3CGPIP4K2A
SCHEMBL8091084 0.84 PIK3CD (0.47) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8100086 0.83 PIK3CD (0.53) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8097448 0.81 PIK3CA (0.43) MTORPIK3CAPIK3CDPIK3CGPIP4K2A
SCHEMBL8091695 0.81 CA12 (0.41) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8081909 0.81 CA12 (0.41) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3925847 0.81 PIK3CA (0.67) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed