SCHEMBL14158132

SCHEMBL14158132

O=C1NC(=O)/C(=C/c2cnn3c(N(C(=O)O)C4CC4)cc(Cl)nc23)N1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK2B P67870 2/20 0.41
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL2051260 0.87 CSNK2B (0.38) CSNK2BKDM4EGAAMAPT
SCHEMBL2051265 0.87 CSNK2B (0.38) CSNK2BKDM4EGAAMAPT
SCHEMBL2028226 0.78 CSNK2B (0.46) CSNK2BALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL1935775 0.78 CSNK2B (0.46) CSNK2BALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL2028224 0.78 CSNK2B (0.46) CSNK2BALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL12586941 0.75 CSNK2B (0.45) CSNK2BALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL2032996 0.73 CSNK2B (0.32) CSNK2BKDM4EGAAMAPT
SCHEMBL2032992 0.73 CSNK2B (0.32) CSNK2BKDM4EGAAMAPT
SCHEMBL15368816 0.73 CSNK2B (0.36) CSNK2B
SCHEMBL1486088 0.73 CSNK2B (0.41) CSNK2B

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