SCHEMBL5260646

SCHEMBL5260646

COc1ccc(-c2nc3nc(C)ccn3c2-c2cc(C)c(SC)c(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
GAA P10253 3/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPK14 Q16539 3/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TEK Q02763 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
HTT P42858 1/20 0.33
NR1I3 Q14994 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
SCHEMBL5261288 0.87 ALDH1A1 (0.53) AKT1AKT2GAAPOLBMAPT
SCHEMBL5260224 0.85 AKT1 (0.41) AKT1AKT2GAATP53POLB
SCHEMBL5261110 0.84 AKT1 (0.38) AKT1AKT2GAATP53POLB
SCHEMBL5263097 0.83 CYP1A2 (0.42) AKT1AKT2GAATP53POLB
SCHEMBL5263504 0.83 AKT1 (0.42) AKT1AKT2GAATP53POLB
SCHEMBL5263328 0.83 SYK (0.42) AKT1AKT2GAATP53POLB
SCHEMBL5803806 0.82 AKT1 (0.41) AKT1AKT2GAATP53POLB
SCHEMBL5261912 0.80 AKT1 (0.47) AKT1AKT2GAATP53POLB
SCHEMBL5267924 0.80 MAPK14 (0.41) AKT1AKT2GAATP53POLB
SCHEMBL5267408 0.80 AKT1 (0.38) AKT1AKT2GAATP53POLB

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