SCHEMBL3145907

SCHEMBL3145907

COC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCN(C(=O)[C@H](C)N)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.64
PIK3CA P42336 18/20 0.60
PIK3CG P48736 6/20 0.60
RICTOR Q6R327 1/20 0.60
RPTOR Q8N122 1/20 0.60
MAPKAP1 Q9BPZ7 1/20 0.60
MLST8 Q9BVC4 1/20 0.60
ATR Q13535 3/20 0.51
MAPK14 Q16539 1/20 0.49
CSNK1G1 Q9HCP0 1/20 0.49

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
SCHEMBL7920905 1.00 MTOR (0.64) MTORPIK3CAPIK3CGRICTORRPTOR
Hydrochloric Acid SCHEMBL1359560 0.99 MTOR (0.64) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL2597496 0.91 MTOR (0.79) MTORPIK3CAPIK3CGATR
SCHEMBL1359067 0.89 MTOR (0.80) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL15393723 0.88 MTOR (0.59) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL7920904 0.88 MTOR (0.59) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL16684433 0.87 MTOR (0.65) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL7917261 0.86 MTOR (0.70) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL1359481 0.85 MTOR (0.55) MTORPIK3CAPIK3CGMAPK14CSNK1G1
SCHEMBL2597659 0.84 MTOR (0.80) MTORPIK3CAPIK3CGATR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP claimed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO claimed
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO disclosed