SCHEMBL6017448

SCHEMBL6017448

CC(CC#N)(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
MIF P14174 1/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL6345537 0.85 MIF (0.43) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL22758084 0.75 MEN1 (0.41) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL18704255 0.74 KMT2A (0.52) KMT2AMEN1SMN1; SMN2POLBMIF
SCHEMBL2799510 0.71 KMT2A (0.63) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL2797975 0.71 KMT2A (0.40) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL19433308 0.70 MEN1 (0.42) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL10887061 0.70 KMT2A (0.50) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL363513 0.70 KMT2A (0.56) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL17080108 0.69 CYP2C19 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13865442 0.69 MIF (0.45) KMT2AMEN1NPC1SMN1; SMN2POLB

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-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 WO disclosed