SCHEMBL4243375

SCHEMBL4243375

N#CC(=NON=O)c1nc2c(Cl)nccc2n1CC1CC1.[NaH]

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
BCL6 P41182 2/20 0.30

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
SCHEMBL5062797 0.86 ALDH1A1 (0.40) CTSLCTSSCTSKBCL6
SCHEMBL5062800 0.86 ALDH1A1 (0.40) CTSLCTSSCTSKBCL6
Nitrous Acid SCHEMBL4243378 0.84 ALDH1A1 (0.36) CTSLCTSSCTSKBCL6
SCHEMBL5597276 0.67 ALDH1A1 (0.34)
SCHEMBL4249002 0.60 RPS6KA5 (0.72)
SCHEMBL24896370 0.56 KDM4C (0.40)
SCHEMBL29942346 0.55 CDC7 (0.34) CTSLCTSSCTSKBCL6
SCHEMBL26660761 0.55 CTSL (0.34) CTSLCTSSCTSKBCL6
SCHEMBL23756415 0.55 CDC7 (0.34) CTSLCTSSCTSKBCL6
SCHEMBL2476573 0.54 NOTUM (0.38) BCL6

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-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed