SCHEMBL6125873

SCHEMBL6125873

COCCNCc1nc(Cl)c2c(n1)CCC(S(C)(=O)=O)(S(C)(=O)=O)C2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE7B Q9NP56 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
SCHEMBL855633 0.83 ACHE (0.34)
SCHEMBL6126300 0.71
SCHEMBL856224 0.67 ACHE (0.37)
SCHEMBL855662 0.64 PDK1 (0.36)
SCHEMBL857638 0.63 CACNA1G (0.32)
SCHEMBL857386 0.61 PDK1 (0.33)
SCHEMBL858000 0.60 PDK1 (0.32)
SCHEMBL14638271 0.57 TNKS2 (0.58)
SCHEMBL856254 0.55 PDK1 (0.32)
SCHEMBL3598581 0.55 KMT2A (0.48)

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-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed