SCHEMBL8211486

SCHEMBL8211486

CC(C)(c1cc(N)nc(-c2cnc(NC(=O)NC3CC3)nc2)n1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.39
PIK3CB P42338 2/20 0.39
MAPK1 P28482 1/20 0.39
PIK3CD O00329 7/20 0.35
PIK3R1 P27986 3/20 0.35
MTOR P42345 2/20 0.34
PIK3CG P48736 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
ALOX5AP P20292 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
CYP2C9 P11712 2/20 0.33
ATR Q13535 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL8219536 0.84 PIK3CA (0.45) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL8222565 0.83 FPR1 (0.36) PIK3CAPIK3CDPIK3R1HDAC3HDAC1
SCHEMBL8211453 0.81 CYP3A4 (0.47) PIK3CAPIK3CDCYP2C9CYP3A4CYP2D6
SCHEMBL3592500 0.79 PIK3CA (0.62) PIK3CAPIK3CDPIK3R1MTORATR
SCHEMBL8213300 0.78 PIK3CD (0.49) PIK3CAPIK3CDMTORCYP2C9CYP3A4
SCHEMBL8091877 0.78 PIK3CA (0.39) PIK3CAPIK3CBMAPK1PIK3CDPIK3R1
SCHEMBL8212629 0.75 PIK3R1 (0.43) PIK3CAPIK3R1
SCHEMBL8213772 0.73 PIK3CD (0.38) PIK3CAPIK3CD
SCHEMBL8218995 0.73 CYP3A4 (0.47) CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL8216527 0.73 PIK3CD (0.37) PIK3CAPIK3CD

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