SCHEMBL8091600

SCHEMBL8091600

Nc1cc(C2(SO)CC2)nc(-c2ccc(NC(=O)NCCF)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.40
MTOR P42345 12/20 0.40
PIK3CD O00329 7/20 0.37
PIK3CG P48736 4/20 0.36
ATR Q13535 1/20 0.36
PRMT3 O60678 1/20 0.34

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
SCHEMBL8096884 0.89 KDM4E (0.39) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL8090988 0.84 MTOR (0.44) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL8089937 0.83 KIF11 (0.39) MTOR
SCHEMBL8091538 0.82 PIK3CD (0.43) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL8083982 0.82 PIK3CD (0.34) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL8083977 0.82 FPR2 (0.52) PIK3CAPIK3CD
SCHEMBL8099890 0.82 GHSR (0.39) PIK3CD
SCHEMBL8084009 0.82 PIK3CD (0.42) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL8095224 0.80 PIK3CD (0.34) PIK3CAPIK3CD
SCHEMBL8091267 0.80 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CGATR

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