SCHEMBL13634671

SCHEMBL13634671

O=C(Nc1cnccc1C(=O)N[C@H]1CCOC1)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.46
PIM1 P11309 4/20 0.45
GPR6 P46095 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.37
NAMPT P43490 3/20 0.37
PAICS P22234 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
TGFBR1 P36897 1/20 0.36
SMO Q99835 1/20 0.36
NTRK1 P04629 2/20 0.35
PFKFB3 Q16875 1/20 0.35
ATR Q13535 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
SCHEMBL13634792 1.00 PDE10A (0.46) PDE10APIM1GPR6IRAK4NAMPT
SCHEMBL13634502 0.88 GPR6 (0.44) PDE10AGPR6IRAK4NAMPTPAICS
SCHEMBL13634821 0.88 GPR6 (0.44) PDE10AGPR6IRAK4NAMPTPAICS
SCHEMBL13634500 0.85 GPR6 (0.42) PDE10APIM1GPR6PAICSSMO
SCHEMBL13634835 0.84 PIM1 (0.42) PIM1GPR6PAICS
SCHEMBL13638762 0.84 PDE10A (0.40) PDE10APIM1GPR6NAMPTPAICS
SCHEMBL13634790 0.83 PIM1 (0.41) PDE10APIM1GPR6PAICSPIM3
SCHEMBL13634623 0.83 PIM1 (0.44) PDE10APIM1GPR6IRAK4NAMPT
SCHEMBL13634798 0.83 PIM1 (0.48) PIM1GPR6IRAK4PAICSPIM3
SCHEMBL13634601 0.83 MCHR1 (0.43) GPR6IRAK4

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed