SCHEMBL9006085

SCHEMBL9006085

COc1ccc2nc3[nH]nc(C)c3c(SC)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
AURKA O14965 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CDK2 P24941 1/20 0.48
AKT1 P31749 1/20 0.48
DYRK1A Q13627 2/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
DYRK3 O43781 1/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
GSK3B P49841 1/20 0.42
HASPIN Q8TF76 1/20 0.42

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
SCHEMBL18079552 0.84 AURKA (0.52) POLBAURKACDK1CDK4CDK2
SCHEMBL9006329 0.82 NUDT1 (0.41) AURKACDK1CDK4CDK2AKT1
SCHEMBL9006179 0.82 PPARA (0.46) POLBAURKACDK1CDK4CDK2
SCHEMBL9006235 0.82 HPGD (0.49) AURKACDK1CDK4CDK2AKT1
SCHEMBL9006232 0.82 AURKA (0.50) POLBAURKACDK1CDK4CDK2
SCHEMBL9006315 0.78 AURKA (0.46) POLBAURKACDK1CDK4CDK2
SCHEMBL9006168 0.72 CASP3 (0.42) POLBAURKAKDM4EHSD17B10KMT2A
SCHEMBL15574603 0.71 NUDT1 (0.60) AURKACDK1CDK4CDK2AKT1
SCHEMBL22608957 0.71 NUDT1 (0.50) POLBAURKACDK1CDK4CDK2
SCHEMBL8588698 0.71 GSK3A (0.52) AURKACDK1CDK4CDK2AKT1

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
US-5506236-A TREATING HERPES VIRUS INFECTIONS SCHERING CORPORATION 1996-04-09 US disclosed