SCHEMBL8328415

SCHEMBL8328415

CN(c1c(C#N)c(=N)n(C)c(=S)n1C)C1CCCN(Cc2ccc(F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.36
KAT2B Q92831 1/20 0.35
POLB P06746 1/20 0.35
DRD4 P21917 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
PDE2A O00408 1/20 0.33
MAOB P27338 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL8321742 0.92 PKM (0.37) GSK3BDRD4SIGMAR1TMEM97MEN1
SCHEMBL8328809 0.91 POLB (0.38) POLBDRD4SIGMAR1TMEM97PDE2A
SCHEMBL8327681 0.89 DRD4 (0.41) GSK3BPOLBDRD4SIGMAR1PDE2A
SCHEMBL8330567 0.89 POLB (0.38) GSK3BPOLBDRD4SIGMAR1TMEM97
SCHEMBL8328371 0.89 NOS3 (0.35)
SCHEMBL8326763 0.83 DRD4 (0.41) DRD4
SCHEMBL8326577 0.81 ALDH1A1 (0.34) SIGMAR1
SCHEMBL8328418 0.79 POLB (0.44) KAT2BPOLBMAOBMEN1KMT2A
SCHEMBL8328988 0.76 KDM4E (0.31) DRD4MAOBMEN1KMT2A
SCHEMBL8327693 0.76 DRD4 (0.41) DRD4

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
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed