SCHEMBL8205334

SCHEMBL8205334

CNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(=O)(=O)c3cc(F)cc(F)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.41
MTOR P42345 5/20 0.41
PIK3CG P48736 3/20 0.41
KMT2A Q03164 1/20 0.40
PIP4K2A P48426 1/20 0.38
PIP4K2B P78356 1/20 0.38
PIK3CD O00329 6/20 0.37
PTGS2 P35354 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NAMPT P43490 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC3 O15379 1/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL8215440 0.92 KMT2A (0.43) PIK3CAMTORPIK3CGKMT2APIP4K2A
SCHEMBL11925811 0.90 KIF11 (0.44) PIK3CAMTORKMT2APIK3CDPTGS2
SCHEMBL8205332 0.89 PIK3CD (0.48) PIK3CAMTORPIK3CGPIK3CDNAMPT
SCHEMBL8217617 0.88 PIK3CA (0.41) PIK3CAMTORPIK3CDPTGS2CA2
SCHEMBL8213348 0.88 CYP3A4 (0.40) PIK3CAKMT2APIK3CDCA2CA9
SCHEMBL8214017 0.86 CYP3A4 (0.43) KMT2APTGS2CA2CA9
SCHEMBL8214031 0.86 ALDH1A1 (0.46) PIK3CAMTORPIK3CGKMT2APIK3CD
SCHEMBL8214019 0.85 ATM (0.45) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8204669 0.85 KMT2A (0.45) PIK3CAMTORPIK3CGKMT2APIP4K2A
SCHEMBL8214220 0.85 PIK3CA (0.48) PIK3CAMTORPIK3CGKMT2APIP4K2A

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