SCHEMBL8091877

SCHEMBL8091877

CS(=O)(=O)C1(c2cc(N)nc(-c3cnc(NC(=O)NC4CC4)nc3)n2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.39
PIK3CB P42338 2/20 0.39
MAPK1 P28482 1/20 0.39
PIK3R1 P27986 6/20 0.34
MAP4K1 Q92918 1/20 0.33
MAPK14 Q16539 2/20 0.33
RAF1 P04049 1/20 0.33
ATR Q13535 3/20 0.33
ABL1 P00519 2/20 0.33
PIK3CD O00329 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
FPR2 P25090 1/20 0.31
TYRO3 Q06418 1/20 0.31

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
SCHEMBL8090668 0.84 PIK3CA (0.35) PIK3CAPIK3CBMAPK1PIK3R1RAF1
SCHEMBL8098306 0.84 CA12 (0.42) PIK3CAPIK3CDMTOR
SCHEMBL8090674 0.82 PIK3CA (0.35) PIK3CAPIK3CBMAPK1PIK3R1ATR
SCHEMBL8090573 0.81 PIK3CA (0.40) PIK3CAPIK3CBPIK3R1ABL1PIK3CD
SCHEMBL8099109 0.81 CA12 (0.43) PIK3CD
SCHEMBL3926241 0.80 ATR (0.53) PIK3CAPIK3CBPIK3R1ATRPIK3CD
SCHEMBL8099411 0.80 CA12 (0.44) PIK3CD
SCHEMBL8211486 0.78 PIK3CA (0.39) PIK3CAPIK3CBMAPK1PIK3R1ATR
SCHEMBL8091695 0.76 CA12 (0.41) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL8081909 0.74 CA12 (0.41) PIK3CAPIK3CBPIK3CDMTORPIK3CG

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