SCHEMBL2597589

SCHEMBL2597589

CC(C)n1cc2c(-c3ccc(NC(=O)Nc4ccc(N5CCN(C)CC5)cc4)cc3)nc(N3CCOCC3)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.53
PIK3CA P42336 13/20 0.53
PIK3CG P48736 10/20 0.53
JAK3 P52333 1/20 0.46

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
SCHEMBL2597493 0.90 MTOR (0.66) MTORPIK3CAPIK3CG
SCHEMBL2597634 0.89 MTOR (0.59) MTORPIK3CAPIK3CG
SCHEMBL2598570 0.81 MTOR (0.58) MTORPIK3CAPIK3CGJAK3
SCHEMBL2597590 0.78 MTOR (0.53) MTORPIK3CAPIK3CGJAK3
SCHEMBL32252 0.74 MTOR (0.80) MTORPIK3CAPIK3CG
SCHEMBL32484 0.74 MTOR (0.66) MTORPIK3CAPIK3CG
SCHEMBL32165 0.72 MTOR (0.69) MTORPIK3CAPIK3CG
SCHEMBL2597536 0.72 MTOR (0.66) MTORPIK3CAPIK3CG
SCHEMBL2597499 0.72 MTOR (0.56) MTORPIK3CAPIK3CG
SCHEMBL2597537 0.71 MTOR (0.56) MTORPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571884-A2 MTOR SELECTIVE KINASE INHIBITORS Xcovery Holding Company LLC (US) 2013-03-27 EP claimed
WO-2011146594-A2 MTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC. (US) 2011-11-24 WO claimed
EP-2571884-A2 MTOR SELECTIVE KINASE INHIBITORS Xcovery Holding Company LLC (US) 2013-03-27 EP disclosed
WO-2011146594-A2 MTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC. (US) 2011-11-24 WO disclosed