SCHEMBL8206584

SCHEMBL8206584

CNC(=O)Nc1ccc(-c2nc(N)cc(CSC(=N)N)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.41
PIK3CA P42336 6/20 0.41
PIK3CG P48736 3/20 0.41
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
PIK3CD O00329 2/20 0.35
CYP2C19 P33261 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL8216966 0.90 MTOR (0.40) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL11926847 0.86 MTOR (0.42) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL8214364 0.84 MTOR (0.40) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL11925490 0.83 MTOR (0.42) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL11925430 0.83 MTOR (0.41) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL8212644 0.82 PIK3CA (0.42) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL11926043 0.82 MAPT (0.47) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL11925377 0.81 MTOR (0.42) MTORPIK3CAPIK3CGALDH1A1MAPT
SCHEMBL11924689 0.81 USP2 (0.46) MTORPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL11926799 0.80 PIK3CA (0.43) MTORPIK3CAPIK3CGALDH1A1KMT2A

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