SCHEMBL6928409

SCHEMBL6928409

O=C1NC(=O)/C(=C/c2cnn3c(NC4CCNC4)cc(Nc4cccc(I)c4)nc23)N1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 18/20 0.39
CSNK2B P67870 3/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL12645498 0.92 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2028352 0.91 CSNK2B (0.46) CSNK2A2CSNK2BCSNK2A1
SCHEMBL12583816 0.91 CSNK2B (0.46) CSNK2A2CSNK2BCSNK2A1
SCHEMBL17641217 0.91 CSNK2B (0.46) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2028616 0.86 CSNK2B (0.46) CSNK2A2CSNK2BCSNK2A1
SCHEMBL6926560 0.86 CSNK2B (0.46) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2028622 0.86 CSNK2B (0.46) CSNK2A2CSNK2BCSNK2A1
SCHEMBL12645607 0.83 CSNK2B (0.36) CSNK2A2CSNK2BCSNK2A1
SCHEMBL1934393 0.82 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2031097 0.82 CSNK2B (0.47) CSNK2A2CSNK2BCSNK2A1

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
WO-2011068667-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed