SCHEMBL14243447

SCHEMBL14243447

CC(C)(C)OC(=O)N(c1cc(C2CC=C(C#N)S2)nc2c(/C=C3\SC(=O)NC3=O)cnn12)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
GPR119 Q8TDV5 3/20 0.32
ESRRA P11474 1/20 0.31

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
SCHEMBL14243147 0.87 CSNK2B (0.31)
SCHEMBL14243322 0.75 CSNK2B (0.31)
SCHEMBL12841000 0.72 CSNK2B (0.31)
SCHEMBL14158437 0.72 CSNK2B (0.42) PIM1PIM3PIM2ESRRA
SCHEMBL14158442 0.72 CSNK2B (0.42) PIM1PIM3PIM2ESRRA
SCHEMBL14243320 0.72 CSNK2B (0.32)
SCHEMBL1486086 0.71 CSNK2B (0.41) GPR119
SCHEMBL1486088 0.71 CSNK2B (0.41) GPR119
SCHEMBL14242630 0.70 PIM1 (0.37) PIM1PIM3PIM2ESRRA
SCHEMBL2051260 0.69 CSNK2B (0.38)

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-2012170827-A2 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed