SCHEMBL3783328

SCHEMBL3783328

CC(C)(C)C1(c2ccc(-c3nc4ccc(Cl)nc4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.47
AKT2 P31751 12/20 0.43
AKT3 Q9Y243 2/20 0.38
FECH P22830 1/20 0.38
PSMB5 P28074 1/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4224643 0.84 AKT1 (0.47) AKT1AKT2AKT3FECH
SCHEMBL1352350 0.83 AKT1 (0.69) AKT1AKT2AKT3FECH
Hydrochloric Acid SCHEMBL1351578 0.82 AKT1 (0.67) AKT1AKT2AKT3FECH
SCHEMBL3704335 0.81 AKT1 (0.46) AKT1AKT2AKT3FECH
SCHEMBL1350141 0.80 AKT1 (0.41) AKT1AKT2AKT3FECHPSMB5
SCHEMBL29533424 0.79 KDM4E (0.50) AKT1AKT2PSMB5KDM4EL3MBTL1
SCHEMBL22919342 0.79 KDM4E (0.50) AKT1AKT2PSMB5KDM4EL3MBTL1
SCHEMBL12133540 0.79 AKT1 (0.51) AKT1AKT2
SCHEMBL3709058 0.78 AKT1 (0.53) AKT1AKT2AKT3FECHPSMB5
SCHEMBL15135637 0.78 AKT1 (0.46) AKT1AKT2AKT3FECHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO disclosed
WO-2009148887-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2009-12-10 WO disclosed