SCHEMBL28019347

SCHEMBL28019347

CNC(=O)c1cncc(-c2ccc3nccnc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
XDH P47989 5/20 0.48
CDK7 P50613 1/20 0.47
DYRK1A Q13627 2/20 0.47
GSK3B P49841 1/20 0.47
PLK1 P53350 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PI4KA P42356 1/20 0.46
PIK3CG P48736 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
CYP11B2 P19099 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43
SCN10A Q9Y5Y9 2/20 0.42
CDK8 P49336 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
SCHEMBL28018886 0.81 MKNK1 (0.55) MKNK1MKNK2CYP11B2
SCHEMBL28425063 0.81 CYP3A4 (0.46) MKNK1MKNK2XDHPIK3C3CYP11B2
SCHEMBL17810015 0.78 HDAC1 (0.59) MKNK1MKNK2XDHCDK7PIK3CD
SCHEMBL6257044 0.77 PLK1 (0.66) PLK1
SCHEMBL30147578 0.77 PLK1 (0.66) PLK1
SCHEMBL23977180 0.77 SCN10A (0.67) MKNK1MKNK2XDHPIK3CDPIK3CA
SCHEMBL24151477 0.76 PTPN1 (0.50) MKNK1MKNK2CDK7DYRK1AGSK3B
SCHEMBL17806746 0.74 MKNK1 (0.52) MKNK1MKNK2XDHCDK7PIK3CD
SCHEMBL5909485 0.73 RAF1 (0.53) MKNK1MKNK2PLK1
SCHEMBL29812385 0.72 PLK1 (0.59) MKNK1MKNK2DYRK1APLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed