SCHEMBL2568692

SCHEMBL2568692

COC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)nc3[nH]nc(C4CCOCC4)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.49
PIK3CA P42336 1/20 0.45
PIK3R1 P27986 3/20 0.41

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
SCHEMBL2597588 0.90 MTOR (0.52) MTORPIK3CAPIK3R1
SCHEMBL2567788 0.90 MTOR (0.49) MTORPIK3CAPIK3R1
SCHEMBL3049847 0.80 MTOR (0.43) MTORPIK3CAPIK3R1
SCHEMBL2597501 0.79 MTOR (0.62) MTORPIK3CAPIK3R1
Hydrochloric Acid SCHEMBL2566544 0.79 MTOR (0.42) MTORPIK3CAPIK3R1
SCHEMBL1359184 0.77 MTOR (0.65) MTORPIK3CAPIK3R1
SCHEMBL2597653 0.75 MTOR (0.59) MTORPIK3CAPIK3R1
SCHEMBL2597510 0.74 MTOR (0.57) MTORPIK3CAPIK3R1
SCHEMBL2597542 0.74 MTOR (0.57) MTORPIK3CAPIK3R1
SCHEMBL2597633 0.74 MTOR (0.57) MTORPIK3CAPIK3R1

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 claimed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO claimed