SCHEMBL6017288

SCHEMBL6017288

NC(C=O)C(c1ccc(Cl)cc1)N1CCN(c2ncnc3cc(I)sc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.38
AKT1 P31749 6/20 0.37
RPS6KB1 P23443 5/20 0.37
AKT1S1 Q96B36 4/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
SIRT3 Q9NTG7 2/20 0.35
AKT2 P31751 1/20 0.35
AKT3 Q9Y243 1/20 0.35

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
Hydrochloric Acid SCHEMBL6017399 0.88 AKT1 (0.40) KITAKT1RPS6KB1AKT1S1SIRT2
SCHEMBL2800727 0.72 AKT1 (0.67) AKT1AKT1S1AKT2AKT3
SCHEMBL4255375 0.72 HTR2C (0.44) KITAKT1RPS6KB1AKT1S1AKT2
SCHEMBL2552239 0.72 AKT2 (0.41) AKT1RPS6KB1AKT1S1AKT2AKT3
SCHEMBL13229915 0.72 AKT1 (0.67) AKT1AKT1S1AKT2AKT3
Hydrochloric Acid SCHEMBL6018212 0.72 RPS6KB1 (0.37) KITAKT1RPS6KB1AKT1S1AKT2
SCHEMBL2552466 0.71 AKT1 (0.63) AKT1AKT2AKT3
SCHEMBL2556845 0.71 AKT1 (0.63) AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL6017797 0.70 RPS6KB1 (0.37) KITAKT1RPS6KB1AKT1S1AKT2
SCHEMBL13855893 0.68 HTR2C (0.53) KITAKT1RPS6KB1AKT1S1AKT2

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