SCHEMBL8328809

SCHEMBL8328809

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CHKA P35790 1/20 0.37
PDE2A O00408 1/20 0.36
KCNH2 Q12809 5/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
KDM1A O60341 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
DRD4 P21917 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TEAD1 P28347 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL8328415 0.91 GSK3B (0.36) POLBPDE2ADRD4TMEM97SIGMAR1
SCHEMBL8321742 0.90 PKM (0.37) KDM4EALDH1A1DRD4TMEM97SIGMAR1
SCHEMBL8330567 0.89 POLB (0.38) POLBMAPTALDH1A1DRD4TMEM97
SCHEMBL8327681 0.88 DRD4 (0.41) POLBPDE2ADRD4SIGMAR1
SCHEMBL8327693 0.84 DRD4 (0.41) KDM4EALDH1A1CHKAKCNH2BCHE
SCHEMBL8328811 0.81 ALDH1A1 (0.39) POLBMAPTKDM4EALDH1A1CHKA
SCHEMBL8328371 0.80 NOS3 (0.35)
SCHEMBL8326763 0.74 DRD4 (0.41) KDM4EALDH1A1DRD4
SCHEMBL8327695 0.73 DRD4 (0.47) DRD4
SCHEMBL8325382 0.73 DRD4 (0.34) 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