SCHEMBL5265345

SCHEMBL5265345

CCSc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(SC)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.39
AKT2 P31751 1/20 0.39
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
MAPK14 Q16539 5/20 0.34
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 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
NR1I3 Q14994 1/20 0.32
ROCK2 O75116 1/20 0.30
PIM1 P11309 1/20 0.30
GSK3B P49841 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL5263332 0.88 AKT1 (0.38) AKT1AKT2PTGS1PTGS2MAPK14
SCHEMBL5261962 0.86 AKT1 (0.43) AKT1AKT2PTGS1PTGS2MAPK14
SCHEMBL5261650 0.86 ROCK2 (0.46) AKT1AKT2PTGS1PTGS2MAPT
SCHEMBL5263379 0.85 AKT1 (0.39) AKT1AKT2PTGS1PTGS2MAPK14
SCHEMBL5267408 0.84 AKT1 (0.38) AKT1AKT2MAPK14MAPTSMN1; SMN2
SCHEMBL5262731 0.81 AKT1 (0.47) AKT1AKT2PTGS1PTGS2MAPK14
SCHEMBL5260859 0.81 MAPK14 (0.42) AKT1AKT2PTGS1PTGS2MAPK14
SCHEMBL5265447 0.80 AKT1 (0.54) AKT1AKT2PTGS1PTGS2MAPK14
SCHEMBL5263183 0.80 AKT1 (0.49) AKT1AKT2PTGS1PTGS2MAPK14
SCHEMBL5264741 0.79 AKT1 (0.39) AKT1AKT2MAPK14MAPTLMNA

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