SCHEMBL18797690

SCHEMBL18797690

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(C5(NC(=O)O)CC(=O)C5)cc4)nc3n2n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.41
AKT2 P31751 18/20 0.41

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
SCHEMBL239897 0.93 AKT1 (0.43) AKT1AKT2
SCHEMBL237134 0.85 AKT1 (0.40) AKT1AKT2
SCHEMBL237118 0.85 AKT1 (0.45) AKT1AKT2
SCHEMBL235861 0.83 AKT1 (0.44) AKT1AKT2
SCHEMBL234351 0.82 AKT1 (0.49) AKT1AKT2
SCHEMBL2755174 0.82 AKT1 (0.42) AKT1AKT2
SCHEMBL239711 0.81 AKT1 (0.55) AKT1AKT2
SCHEMBL16986811 0.81 AKT1 (0.40) AKT1AKT2
SCHEMBL234445 0.80 AKT1 (0.52) AKT1AKT2
SCHEMBL237803 0.80 AKT1 (0.45) AKT1AKT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed