SCHEMBL8090939

SCHEMBL8090939

NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)C4CCOC4)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.47
PIK3CA P42336 10/20 0.47
MTOR P42345 4/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
ATR Q13535 2/20 0.38
PRKDC P78527 1/20 0.38
ATM Q13315 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
SCHEMBL8098257 0.94 PIK3CD (0.48) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091084 0.90 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091090 0.89 PIK3CD (0.45) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8095727 0.88 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8083021 0.87 PIK3CD (0.55) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8092629 0.84 MTOR (0.48) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8095567 0.82 PIK3CD (0.45) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8084603 0.81 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8083616 0.80 ATR (0.42) PIK3CDPIK3CAMTORATR
SCHEMBL8083874 0.80 MTOR (0.47) PIK3CDPIK3CAMTORPIK3CBPIK3CG

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