SCHEMBL5261672

SCHEMBL5261672

CSc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(SC)c(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.44
AKT2 P31751 2/20 0.44
MAPK14 Q16539 9/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
MAPT P10636 4/20 0.40
MAPK13 O15264 6/20 0.36
MAPK12 P53778 6/20 0.36
MAPK11 Q15759 6/20 0.36
GCGR P47871 2/20 0.36
TEK Q02763 1/20 0.34
GAA P10253 3/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5261962 0.88 AKT1 (0.43) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5263158 0.88 MAPK14 (0.45) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5263504 0.87 AKT1 (0.42) AKT1AKT2MAPK14MAPTTEK
SCHEMBL5265447 0.87 AKT1 (0.54) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5260873 0.85 MAPT (0.57) AKT1AKT2PTGS1PTGS2MAPT
SCHEMBL5265616 0.82 AKT1 (0.62) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5263137 0.82 AKT1 (0.62) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5260859 0.81 MAPK14 (0.42) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5266214 0.81 MAPK14 (0.54) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5263183 0.81 AKT1 (0.49) 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