SCHEMBL8216601

SCHEMBL8216601

CNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(=O)(=O)C3CCCCC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.41
MTOR P42345 5/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CD O00329 6/20 0.41
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
PTGS2 P35354 3/20 0.36
NAMPT P43490 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8218351 0.99 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3CDKMT2A
SCHEMBL8205327 0.90 PIK3CD (0.39) PIK3CAPIK3CDKMT2ACYP3A4CYP2D6
SCHEMBL8213051 0.90 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CDNAMPT
SCHEMBL8214015 0.90 CYP3A4 (0.49) KMT2ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8213031 0.89 PIK3CD (0.40) PIK3CAMTORPIK3CDKMT2APTGS2
SCHEMBL8213028 0.89 CYP3A4 (0.48) KMT2ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11925981 0.89 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8213854 0.87 PIK3CA (0.46) PIK3CAMTORPIK3CGPIK3CDNAMPT
SCHEMBL8213054 0.86 PIK3CA (0.48) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8214220 0.84 PIK3CA (0.48) PIK3CAMTORPIK3CGPIK3CDKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed