SCHEMBL2905770

SCHEMBL2905770

CC1CN(c2nc(N3CCOCC3)c3ccc(-c4ccc(OCCc5ccccc5)cc4)nc3n2)CC(C)O1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.63
MTOR P42345 17/20 0.61
PIK3CD O00329 1/20 0.59
PIK3CA P42336 1/20 0.59
RICTOR Q6R327 1/20 0.59
RPTOR Q8N122 1/20 0.59
MAPKAP1 Q9BPZ7 1/20 0.59
MLST8 Q9BVC4 1/20 0.59

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
SCHEMBL2907747 0.92 KCNH2 (0.65) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2905856 0.89 MTOR (0.65) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2906937 0.87 MTOR (0.66) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2906198 0.87 MTOR (0.67) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2903104 0.87 MTOR (0.62) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2907372 0.86 MTOR (0.77) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2901168 0.86 MTOR (0.77) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2908278 0.85 MTOR (0.64) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2905736 0.84 MTOR (0.78) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2907632 0.83 MTOR (0.62) 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