SCHEMBL3626899

SCHEMBL3626899

CC(C)(C)c1c(Cl)ncnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
DYRK1A Q13627 1/20 0.32
AXL P30530 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL6034182 0.84 PI4KA (0.35) SMN1; SMN2HTT
SCHEMBL9355586 0.72 PDE4A (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL29176964 0.71 PI4KA (0.33) SMN1; SMN2HTT
SCHEMBL13019471 0.70 TRPV1 (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL25101269 0.70 AXL (0.32) AXLLMNA
SCHEMBL22315284 0.69 CCR1 (0.37)
SCHEMBL8179438 0.69 HPGD (0.41)
SCHEMBL25144093 0.69 ATR (0.30)
SCHEMBL20457097 0.69 CCR1 (0.35)
SCHEMBL410292 0.69

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-2010119878-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO disclosed