SCHEMBL5728448

SCHEMBL5728448

NC(=O)Nc1ccc2c(c1)C(=Cc1cc(C(=O)NCCCN3CCCCC3)c[nH]1)CN2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 10/20 0.67
PDPK1 O15530 4/20 0.67
PDK1 Q15118 2/20 0.42
NAMPT P43490 4/20 0.40
CHEK1 O14757 1/20 0.40
SMYD2 Q9NRG4 2/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL5727947 0.95 AKT2 (0.74) AKT2PDPK1PDK1NAMPTKMT2A
SCHEMBL5728277 0.87 AKT2 (0.75) AKT2PDPK1PDK1
SCHEMBL5728695 0.85 AKT2 (0.91) AKT2PDPK1PDK1
SCHEMBL5728697 0.85 AKT2 (0.91) AKT2PDPK1PDK1
SCHEMBL5728141 0.85 AKT2 (0.89) AKT2PDPK1PDK1
SCHEMBL5728138 0.85 AKT2 (0.89) AKT2PDPK1PDK1
SCHEMBL5728256 0.82 AKT2 (0.71) AKT2PDPK1PDK1
SCHEMBL5727915 0.82 AKT2 (0.88) AKT2PDPK1PDK1
SCHEMBL5727928 0.82 AKT2 (0.88) AKT2PDPK1PDK1
SCHEMBL5728656 0.80 AKT2 (1.00) AKT2PDPK1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680401-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Schering Aktiengesellschaft (DE) 2006-07-19 EP claimed
WO-2005040116-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-06 WO claimed
EP-1680401-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Schering Aktiengesellschaft (DE) 2006-07-19 EP disclosed
WO-2005040116-A2 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-06 WO disclosed