SCHEMBL8328371

SCHEMBL8328371

CN(c1c(C#N)c(=N)n(C)c(=S)n1C)C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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 0.89 GSK3B (0.36)
SCHEMBL8326763 0.82 DRD4 (0.41)
SCHEMBL8326577 0.82 ALDH1A1 (0.34)
SCHEMBL8321742 0.80 PKM (0.37) NOS3NOS1NOS2
SCHEMBL8328809 0.80 POLB (0.38)
SCHEMBL8328988 0.79 KDM4E (0.31)
SCHEMBL8327173 0.79 PRKAA2 (0.42)
SCHEMBL8328374 0.78 ACHE (0.42)
SCHEMBL8327681 0.78 DRD4 (0.41)
SCHEMBL8330567 0.77 POLB (0.38)

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