SCHEMBL5728581

SCHEMBL5728581

COC(=O)COc1cccc(-c2c[nH]c(C=C3CNc4ccc(NC(N)=O)cc43)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 14/20 0.58
PDPK1 O15530 6/20 0.58
PDK1 Q15118 2/20 0.45
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3476387 0.85 AKT2 (0.81) AKT2PDPK1PDK1
SCHEMBL3476390 0.85 AKT2 (0.81) AKT2PDPK1PDK1
SCHEMBL3471350 0.74 AKT2 (1.00) AKT2PDPK1PDK1
SCHEMBL3471348 0.74 AKT2 (1.00) AKT2PDPK1PDK1
SCHEMBL5728256 0.69 AKT2 (0.71) AKT2PDPK1PDK1
SCHEMBL3477254 0.69 AKT2 (0.68) AKT2PDPK1PDK1
SCHEMBL3477256 0.69 AKT2 (0.68) AKT2PDPK1PDK1
SCHEMBL3470401 0.66 AKT2 (1.00) AKT2PDPK1PDK1
SCHEMBL5728100 0.66 AKT2 (1.00) AKT2PDPK1PDK1
SCHEMBL3470275 0.66 AKT2 (0.79) 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