SCHEMBL5263158

SCHEMBL5263158

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.45
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
MAPK13 O15264 7/20 0.39
MAPK12 P53778 7/20 0.39
MAPK11 Q15759 7/20 0.39
GCGR P47871 2/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KLK7 P49862 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 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
SCHEMBL5261672 0.88 AKT1 (0.44) MAPK14AKT1AKT2PTGS1PTGS2
SCHEMBL5262705 0.88 MAPK14 (0.43) MAPK14AKT1AKT2MAPK13MAPK12
SCHEMBL5261962 0.86 AKT1 (0.43) MAPK14AKT1AKT2PTGS1PTGS2
SCHEMBL5261444 0.86 MAPK14 (0.42) MAPK14AKT1AKT2MAPK13MAPK12
SCHEMBL5262641 0.85 ALDH1A1 (0.47) MAPK14AKT1AKT2PTGS1PTGS2
SCHEMBL5265447 0.85 AKT1 (0.54) MAPK14AKT1AKT2PTGS1PTGS2
SCHEMBL5263819 0.84 MAPT (0.51) MAPK14AKT1AKT2PTGS1PTGS2
SCHEMBL5266214 0.84 MAPK14 (0.54) MAPK14AKT1AKT2PTGS1PTGS2
SCHEMBL5262399 0.82 AKT1 (0.49) MAPK14AKT1AKT2PTGS1PTGS2
SCHEMBL5263373 0.81 MAPK14 (0.51) MAPK14AKT1AKT2PTGS1PTGS2

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