SCHEMBL2564540

SCHEMBL2564540

COC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3[nH]nc(CS(C)(=O)=O)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.49
PIK3R1 P27986 4/20 0.49
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 13/20 0.44
PIK3CG P48736 11/20 0.44
PIK3CD O00329 1/20 0.42

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
SCHEMBL2567788 0.81 MTOR (0.49) MTORPIK3R1ALDH1A1GAAHPGD
SCHEMBL2597500 0.76 MTOR (0.56) MTORPIK3R1PIK3CAPIK3CG
SCHEMBL1359915 0.76 MTOR (0.55) MTORPIK3R1PIK3CAPIK3CG
SCHEMBL2564539 0.76 MTOR (0.49) MTORPIK3R1PIK3CAPIK3CG
SCHEMBL2597626 0.75 MTOR (0.58) MTORPIK3R1PIK3CAPIK3CGPIK3CD
SCHEMBL3049847 0.74 MTOR (0.43) MTORPIK3R1ALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL2566544 0.74 MTOR (0.42) MTORPIK3R1ALDH1A1GAAHPGD
SCHEMBL12110760 0.73 PIK3CA (0.75) MTORPIK3CAPIK3CG
SCHEMBL2597635 0.71 MTOR (0.59) MTORPIK3R1PIK3CAPIK3CG
SCHEMBL2568692 0.71 MTOR (0.49) MTORPIK3R1PIK3CA

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-2382207-A2 PI3K/MTOR KINASE INHIBITORS Xcovery Holding Company LLC (US) 2011-11-02 EP disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO disclosed