SCHEMBL1905294

SCHEMBL1905294

CC(C)(C)N(C(=O)O)C1(c2ccc(-c3oc4ncc(-c5ccccc5)nc4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.32
TNK2 Q07912 2/20 0.31
LCK P06239 1/20 0.31
ATR Q13535 2/20 0.31
CHEK1 O14757 2/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL1907661 0.92 CHEK1 (0.35) AKT1TNK2LCKCHEK1MERTK
SCHEMBL1902949 0.81 AKT1 (0.36) AKT1TNK2LCKCHEK1MERTK
SCHEMBL1908162 0.80 OPRM1 (0.32) AKT1TNK2
SCHEMBL14118957 0.79 TACR3 (0.41) AKT1CHEK1
SCHEMBL1907828 0.79 AKT1 (0.37) AKT1
SCHEMBL1905644 0.78 AKT1 (0.51) AKT1
SCHEMBL1908428 0.77 MERTK (0.35) AKT1TNK2LCKCHEK1MERTK
SCHEMBL1898953 0.77 AKT1 (0.37) AKT1
SCHEMBL14119116 0.75 AKT1 (0.42) AKT1
SCHEMBL1905018 0.75 EGFR (0.34) AKT1TNK2LCKMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO disclosed