SCHEMBL5263379

SCHEMBL5263379

CSc1ccc(-c2c(-c3ccc(SC(C)C)c(Cl)c3)nc3nc(C)ccn23)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.39
AKT2 P31751 3/20 0.39
MAPK14 Q16539 5/20 0.38
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
MAPT P10636 2/20 0.32
MAPK13 O15264 3/20 0.32
MAPK12 P53778 3/20 0.32
MAPK11 Q15759 3/20 0.32
GCGR P47871 2/20 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
SCHEMBL5260859 0.96 MAPK14 (0.42) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5263057 0.87 MAPK14 (0.43) AKT1AKT2MAPK14MAPTMAPK13
SCHEMBL5261962 0.86 AKT1 (0.43) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5261602 0.86 MAPT (0.45) AKT1AKT2PTGS1PTGS2MAPT
SCHEMBL5265345 0.85 AKT1 (0.39) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5267924 0.84 MAPK14 (0.41) AKT1AKT2MAPK14MAPTMAPK13
SCHEMBL5262188 0.82 MAPT (0.47) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5265447 0.80 AKT1 (0.54) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5263183 0.80 AKT1 (0.49) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5263332 0.80 AKT1 (0.38) AKT1AKT2MAPK14PTGS1PTGS2

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