SCHEMBL8090668

SCHEMBL8090668

CS(=O)(=O)C1(c2cc(N)nc(-c3cnc(NC(=O)NCCO)nc3)n2)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.35
PIK3R1 P27986 7/20 0.35
MTOR P42345 4/20 0.34
ATR Q13535 2/20 0.32
MAPK1 P28482 1/20 0.32
FYN P06241 1/20 0.32
PIK3CD O00329 6/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
KRAS P01116 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31
FGFR1 P11362 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL8083749 0.89 EPHX2 (0.37) PIK3CAPIK3R1MTORMAPK1PIK3CD
SCHEMBL8083676 0.86 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8095926 0.84 PIK3CA (0.43) PIK3CAMTORATRMAPK1PIK3CD
SCHEMBL8091877 0.84 PIK3CA (0.39) PIK3CAPIK3R1MTORATRMAPK1
SCHEMBL8092989 0.84 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8099578 0.81 PIK3CA (0.40) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL8090674 0.81 PIK3CA (0.35) PIK3CAPIK3R1MTORATRMAPK1
SCHEMBL8083702 0.81 PIK3CD (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3936002 0.80 PIK3CA (0.56) PIK3CAPIK3R1MTORATRPIK3CD
SCHEMBL8091865 0.80 MAPK1 (0.42) PIK3CAMTORMAPK1PIK3CDPIK3CB

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