SCHEMBL5263587

SCHEMBL5263587

COc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(C)cc2S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
SYK P43405 2/20 0.39
AURKB Q96GD4 2/20 0.39
INCENP Q9NQS7 2/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
MAPK14 Q16539 1/20 0.38
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 3/20 0.37
FLT3 P36888 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5789311 0.82 GAA (0.43) AKT1AKT2SYKAURKBINCENP
SCHEMBL5803806 0.80 AKT1 (0.41) AKT1AKT2SYKAURKBINCENP
SCHEMBL5262292 0.80 ALDH1A1 (0.44) AKT1AKT2SYKAURKBINCENP
SCHEMBL5263795 0.77 AKT1 (0.49) AKT1AKT2MAPTGAATP53
SCHEMBL5264876 0.76 AKT1 (0.51) AKT1AKT2MAPTTP53MAPK14
SCHEMBL5262073 0.76 AKT1 (0.48) AKT1AKT2MAPTGAATP53
SCHEMBL5261912 0.75 AKT1 (0.47) AKT1AKT2MAPTGAATP53
SCHEMBL5265135 0.75 KDM4E (0.41) AKT1AKT2SYKAURKBINCENP
SCHEMBL6100692 0.74 AKT1 (0.47) AKT1AKT2MAPTGAATP53
SCHEMBL5262520 0.74 AKT1 (0.47) AKT1AKT2MAPTGAATP53

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 claimed