SCHEMBL5400567

SCHEMBL5400567

O=c1cc(-c2ccncc2)nc(CCC(c2ccccc2)c2ccccc2)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.70
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CDC7 O00311 2/20 0.46
ALDH1A1 P00352 1/20 0.44
XDH P47989 1/20 0.43
HTR1B P28222 1/20 0.43
HRH1 P35367 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
CDK1 P06493 1/20 0.43
CSF1R P07333 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
MAPK1 P28482 1/20 0.43
CSNK1A1 P48729 1/20 0.43

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
SCHEMBL5390685 0.83 GSK3B (1.00) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5387930 0.81 GSK3B (1.00) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5400563 0.80 PDE10A (0.48) GSK3BCDC7HTR1BHRH1
SCHEMBL5375274 0.79 XDH (0.55) GSK3BMEN1KMT2ACDC7ALDH1A1
SCHEMBL5376095 0.79 GSK3B (1.00) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5380514 0.78 GSK3B (0.84) GSK3BSMN1; SMN2CDC7XDHDYRK3
SCHEMBL5386254 0.76 GSK3B (1.00) GSK3BSMN1; SMN2CDC7XDHDYRK3
SCHEMBL3854866 0.75 SMN1; SMN2 (0.74) GSK3BSMN1; SMN2MEN1KMT2ACDC7
SCHEMBL5381263 0.75 GSK3B (0.92) GSK3BSMN1; SMN2CDC7XDHDYRK3
SCHEMBL5386572 0.74 GSK3B (1.00) GSK3BSMN1; SMN2MEN1KMT2ACDC7

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
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed