SCHEMBL13634770

SCHEMBL13634770

O=C(Nc1ccncc1C(=O)O)c1coc(N2CC[C@H](Oc3ncccn3)[C@H](F)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.36
IRAK4 Q9NWZ3 6/20 0.36
PIM2 Q9P1W9 3/20 0.35
PIM3 Q86V86 2/20 0.35
RBP4 P02753 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GSK3B P49841 3/20 0.34
PRKCA P17252 2/20 0.34
PRKCQ Q04759 2/20 0.34
FLT3 P36888 1/20 0.34
GSK3A P49840 1/20 0.34
PAICS P22234 1/20 0.34
DYRK1A Q13627 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
GPR6 P46095 2/20 0.33

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
SCHEMBL13634504 0.92 PIM1 (0.37) PIM1IRAK4PIM2PIM3GSK3B
SCHEMBL13270803 0.91 HCAR2 (0.40) IRAK4CYP2C9HCAR2GPR6
SCHEMBL13634787 0.91 HCAR2 (0.40) IRAK4CYP2C9HCAR2GPR6
SCHEMBL13634505 0.91 PIM1 (0.35) PIM1IRAK4PIM2PIM3GSK3B
SCHEMBL13634622 0.89 PIM1 (0.48) PIM1IRAK4PIM2PIM3CYP2C9
SCHEMBL13634796 0.89 GPR6 (0.37) PIM1IRAK4PIM2PIM3GPR6
SCHEMBL13634506 0.88 PIM1 (0.39) PIM1IRAK4PIM2PIM3GSK3B
SCHEMBL13634623 0.87 PIM1 (0.44) PIM1IRAK4GPR6
SCHEMBL13634839 0.87 PIM1 (0.39) PIM1IRAK4PIM2PIM3GSK3B
SCHEMBL13634840 0.87 PIM1 (0.37) PIM1IRAK4PIM2PIM3GPR6

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