SCHEMBL8213775

SCHEMBL8213775

CCNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(C)(=O)=O)n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.49
PIK3CA P42336 4/20 0.49
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
MAPK1 P28482 2/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
ABL1 P00519 1/20 0.41
PIM1 P11309 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL8213772 0.89 PIK3CD (0.38) PIK3CDPIK3CAABL1
SCHEMBL8219536 0.87 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBPIK3CGABL1
SCHEMBL8216527 0.87 PIK3CD (0.37) PIK3CDPIK3CA
SCHEMBL8214526 0.86 PIK3CD (0.61) PIK3CDPIK3CAPIK3CG
SCHEMBL11925415 0.86 MAPK1 (0.45) PIK3CDPIK3CAMAPK1MAPK8MAPK9
SCHEMBL11925989 0.83 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGMAPK1
SCHEMBL8218812 0.80 PORCN (0.38) PIK3CDPIK3CAPIK3CG
SCHEMBL8222563 0.80 PIK3CD (0.45) PIK3CDPIK3CAPIK3CG
SCHEMBL8213343 0.78 PIK3R1 (0.40) PIK3CDPIK3CAPIK3CG
SCHEMBL3602962 0.78 PIK3CA (0.80) PIK3CDPIK3CA

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed