SCHEMBL8084009

SCHEMBL8084009

CCS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)NCCF)cc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.42
PIK3CA P42336 15/20 0.40
MTOR P42345 11/20 0.39
PIK3CG P48736 3/20 0.37
ATR Q13535 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL8106273 0.93 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8091538 0.91 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CGATR
SCHEMBL8091267 0.87 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CGATR
SCHEMBL8099632 0.87 CA1 (0.42) PIK3CDPIK3CAMTOR
SCHEMBL8091717 0.86 CA2 (0.40) PIK3CDPIK3CAMTOR
SCHEMBL8082001 0.86 PIK3CD (0.42) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8104327 0.85 NAMPT (0.39) PIK3CDPIK3CAMTOR
SCHEMBL8090837 0.85 MTOR (0.38) PIK3CDPIK3CAMTOR
SCHEMBL8095579 0.85 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CGATR
SCHEMBL8090705 0.84 NAMPT (0.40) PIK3CDPIK3CAMTOR

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