SCHEMBL2900641

SCHEMBL2900641

C[C@H]1COCCN1c1nc(N2CCOCC2)nc2nc(-c3cccnc3)ccc12

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.89
AKT1 P31749 2/20 0.73
KCNH2 Q12809 1/20 0.67

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
SCHEMBL2907762 0.94 MTOR (1.00) MTORAKT1
SCHEMBL4177877 0.84 AKT1 (1.00) MTORAKT1
SCHEMBL2908112 0.83 MTOR (1.00) MTORAKT1
SCHEMBL2901002 0.83 MTOR (1.00) MTORAKT1KCNH2
SCHEMBL2907878 0.82 KCNH2 (0.67) MTORKCNH2
SCHEMBL2907141 0.82 MTOR (1.00) MTORAKT1
SCHEMBL2905752 0.82 MTOR (1.00) MTOR
SCHEMBL14114023 0.82 MTOR (0.90) MTORAKT1
SCHEMBL22449835 0.82 MTOR (0.90) MTORKCNH2
SCHEMBL2909940 0.81 MTOR (1.00) MTORAKT1KCNH2

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