SCHEMBL8205299

SCHEMBL8205299

CCNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(=O)(=O)c3ccc(F)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.48
PIK3CA P42336 6/20 0.48
MTOR P42345 2/20 0.43
PIK3CG P48736 1/20 0.43
NAMPT P43490 3/20 0.43
KDM1A O60341 1/20 0.42
GHSR Q92847 1/20 0.42
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8205332 0.93 PIK3CD (0.48) PIK3CDPIK3CAMTORPIK3CGNAMPT
SCHEMBL11925440 0.91 CA2 (0.42) PIK3CDPIK3CAMTORNAMPTKDM1A
SCHEMBL8213062 0.91 PIK3CD (0.49) PIK3CDPIK3CAMTORPIK3CGNAMPT
SCHEMBL8215440 0.89 KMT2A (0.43) PIK3CAMTORPIK3CGNAMPTKDM1A
SCHEMBL8214334 0.87 KIF11 (0.49) PIK3CAMTORPIK3CGKDM1ACA2
SCHEMBL11925958 0.87 CA2 (0.46) PIK3CAMTORPIK3CGNAMPTKDM1A
SCHEMBL8214526 0.86 PIK3CD (0.61) PIK3CDPIK3CAMTORPIK3CGGHSR
SCHEMBL8215290 0.84 PIK3CD (0.46) PIK3CDPIK3CAMTORPIK3CGNAMPT
SCHEMBL8217617 0.83 PIK3CA (0.41) PIK3CDPIK3CAMTORNAMPTCA2
SCHEMBL8219760 0.82 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CGNAMPT

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