SCHEMBL2907916

SCHEMBL2907916

CC1CN(c2nc(N3CCOCC3)c3ccc(-c4cccc(CC=NO)c4)nc3n2)CC(C)O1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.77
MTOR P42345 17/20 0.64
PIK3CD O00329 1/20 0.60
PIK3CA P42336 1/20 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

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
SCHEMBL2907997 0.88 KCNH2 (0.81) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2905828 0.87 KCNH2 (0.68) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2905834 0.87 KCNH2 (0.68) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2907695 0.85 KCNH2 (0.79) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2906153 0.84 MTOR (0.79) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL4168632 0.83 KCNH2 (0.68) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2907914 0.83 KCNH2 (0.68) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2901155 0.83 KCNH2 (0.75) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2905732 0.83 MTOR (0.79) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2901168 0.81 MTOR (0.77) KCNH2MTORPIK3CDPIK3CARICTOR

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-2217234-A2 COMBINATIONS OF MEK INHIBITORS WITH MTOR INHIBITORS AstraZeneca AB (SE) 2010-08-18 EP disclosed
WO-2009050506-A2 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-23 WO disclosed