SCHEMBL8330567

SCHEMBL8330567

CN(c1c(C#N)c(=N)n(C)c(=S)n1C)C1CCCN(Cc2ccncc2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
GSK3B P49841 9/20 0.33
DRD4 P21917 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CCR2 P41597 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 0.90 PKM (0.37) KMT2AMEN1ALDH1A1PKMGSK3B
SCHEMBL8328809 0.89 POLB (0.38) POLBMAPTALDH1A1DRD4TMEM97
SCHEMBL8328415 0.89 GSK3B (0.36) POLBKMT2AMEN1GSK3BDRD4
SCHEMBL8327681 0.88 DRD4 (0.41) POLBCYP1A2CYP3A4GSK3BDRD4
SCHEMBL8325382 0.83 DRD4 (0.34) PKMDRD4
SCHEMBL8330578 0.79 CYP1A2 (0.36) POLBMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8328371 0.77 NOS3 (0.35)
SCHEMBL8327693 0.74 DRD4 (0.41) ALDH1A1DRD4
SCHEMBL8326763 0.72 DRD4 (0.41) ALDH1A1DRD4
SCHEMBL8325386 0.71 DRD4 (0.40) CYP1A2CYP3A4CYP2C9DRD4

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