SCHEMBL8360914

SCHEMBL8360914

CN(C)CCOC(=O)c1cc(N)cc(-c2cnc(NC3CC3)c(=O)n2CC(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.36
PHLPP2 Q6ZVD8 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
PDE5A O76074 2/20 0.32
PDE6A P16499 2/20 0.32
KDM1A O60341 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
MERTK Q12866 1/20 0.32
F2 P00734 1/20 0.32
F3 P13726 1/20 0.32
MAPK1 P28482 4/20 0.32
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE11A Q9HCR9 1/20 0.31

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
SCHEMBL8363686 0.91 F7 (0.37) F7JAK2JAK1JAK3PDE5A
SCHEMBL8363478 0.90 F7 (0.39) F7PHLPP2PDE5APDE6AF2
SCHEMBL8363216 0.90 F7 (0.38) F7JAK2JAK1JAK3PDE5A
SCHEMBL6798274 0.86 F7 (0.40) F7JAK2JAK1JAK3F2
SCHEMBL6790420 0.81 F7 (0.60) F7F2F3
SCHEMBL8360899 0.80 F7 (0.40) F7PDE5APDE6AF2F3
SCHEMBL8360913 0.79 F7 (0.42) F7PDE5APDE6AF2F3
SCHEMBL8360908 0.77 F7 (0.53) F7PHLPP2F2F3
SCHEMBL8363709 0.76 F7 (0.51) F7F2F3
SCHEMBL8362044 0.76 F7 (0.47) F7F2F3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed