SCHEMBL9820109

SCHEMBL9820109

c1ccc(Nc2n[nH]c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.66
GSK3B P49841 3/20 0.66
PLK4 O00444 2/20 0.66
DAPK3 O43293 2/20 0.66
DYRK3 O43781 2/20 0.66
ROCK2 O75116 2/20 0.66
PRKD3 O94806 2/20 0.66
MAP4K4 O95819 2/20 0.66
RET P07949 2/20 0.66
FER P16591 2/20 0.66
RPS6KB1 P23443 2/20 0.66
CDK2 P24941 2/20 0.66
MARK3 P27448 2/20 0.66
LIMK1 P53667 2/20 0.66
MAP4K2 Q12851 2/20 0.66
STK3 Q13188 2/20 0.66
ROCK1 Q13464 2/20 0.66
CAMK2B Q13554 2/20 0.66
CAMK2G Q13555 2/20 0.66
CAMK2D Q13557 2/20 0.66

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
SCHEMBL9820168 0.85 DYRK1A (0.57) RPS6KA3GSK3BPLK4DAPK3DYRK3
SCHEMBL5256323 0.83 PLK4 (0.57) RPS6KA3GSK3BPLK4DAPK3DYRK3
SCHEMBL5259065 0.83 MAPK14 (0.61) RPS6KA3GSK3BPLK4DAPK3DYRK3
SCHEMBL27565066 0.76 MAPK14 (0.62) RPS6KA3GSK3BPLK4DAPK3DYRK3
SCHEMBL8112141 0.76 CLK4 (0.46) RPS6KA3GSK3BPLK4DAPK3DYRK3
SCHEMBL6333104 0.76 MAPK14 (0.47) RPS6KA3GSK3BPLK4DAPK3DYRK3
SCHEMBL6235341 0.71 EGFR (0.77) GSK3BCDK1MAPK1EGFRPDGFRB
SCHEMBL5231898 0.71 KDM4E (0.62) RPS6KA3KDRMAPK1NPSR1MAPT
SCHEMBL5865715 0.69 AKT2 (0.68) RPS6KA3MAPK1NPSR1GAAHPGD
SCHEMBL5820038 0.69 MAPK1 (1.00) RPS6KA3MAP4K4LIMK1AURKBCLK4

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-0248523-B1 PYRAZOLES FISONS plc (GB) 1991-10-16 EP disclosed