SCHEMBL5263237

SCHEMBL5263237

Cc1ccn2c(-c3ccc([S+](C)[O-])c(Cl)c3)c(-c3ccc([S+](C)[O-])cc3)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.43
AKT2 P31751 4/20 0.43
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32

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
SCHEMBL5261963 0.89 AKT1 (0.39) AKT1AKT2MAPK14
SCHEMBL5262863 0.87 AKT1 (0.41) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5262639 0.85 AKT1 (0.36) AKT1AKT2MAPK14
SCHEMBL5262246 0.82 AKT1 (0.61) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5265191 0.82 AKT1 (0.61) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5264263 0.81 MAPK14 (0.50) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5265058 0.81 AKT1 (0.49) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5261444 0.79 MAPK14 (0.42) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5261530 0.79 AKT1 (0.47) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5261876 0.78 ALDH1A1 (0.41) AKT1AKT2MAPK14MAPK13MAPK12

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
EP-1660500-B1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER S A L V A T LAB SA (ES) 2007-12-12 EP disclosed