SCHEMBL4791302

SCHEMBL4791302

CCc1nc(CS(=O)(=O)c2ccccc2)cc(N2CCOCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.64
PIK3CA P42336 6/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 2/20 0.64
HTT P42858 2/20 0.64
POLB P06746 2/20 0.60
PIK3CB P42338 1/20 0.54
PIK3CD O00329 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATR Q13535 4/20 0.44
PKM P14618 1/20 0.44
AKT1 P31749 1/20 0.43
PRKDC P78527 1/20 0.43

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
SCHEMBL1271595 0.86 POLB (0.79) MTORPIK3CALMNAALDH1A1KDM4E
SCHEMBL3600075 0.84 MTOR (0.67) MTORPIK3CALMNAALDH1A1KDM4E
SCHEMBL1270892 0.83 MTOR (0.63) MTORPIK3CALMNAALDH1A1KDM4E
SCHEMBL1271730 0.83 MTOR (0.77) MTORPIK3CALMNAALDH1A1KDM4E
SCHEMBL739736 0.79 MTOR (0.73) MTORPIK3CALMNAALDH1A1KDM4E
SCHEMBL3603559 0.78 MTOR (0.70) MTORPIK3CALMNAALDH1A1KDM4E
SCHEMBL740384 0.78 MTOR (1.00) MTORPIK3CALMNAALDH1A1KDM4E
SCHEMBL1272376 0.78 MTOR (0.67) MTORPIK3CALMNAALDH1A1KDM4E
SCHEMBL1271555 0.77 MTOR (0.64) MTORPIK3CALMNAALDH1A1KDM4E
SCHEMBL1271886 0.77 MTOR (0.66) MTORPIK3CALMNAALDH1A1KDM4E

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-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 EP disclosed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 WO disclosed