SCHEMBL13634839

SCHEMBL13634839

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.39
IRAK4 Q9NWZ3 3/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TGFBR1 P36897 3/20 0.32
TGFBR2 P37173 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PRKCA P17252 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
PRKCQ Q04759 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL13634506 0.98 PIM1 (0.39) PIM1IRAK4PIM3PIM2CNR1
SCHEMBL13634840 0.94 PIM1 (0.37) PIM1IRAK4PIM3PIM2CNR1
SCHEMBL13638767 0.93 KDM4E (0.39) PIM1IRAK4PIM3PIM2CNR1
SCHEMBL13638905 0.92 PIM1 (0.36) PIM1IRAK4PIM3PIM2CNR1
SCHEMBL13634796 0.91 GPR6 (0.37) PIM1IRAK4PIM3PIM2CNR1
SCHEMBL13638987 0.91 PIM1 (0.35) PIM1IRAK4PIM3PIM2CNR1
SCHEMBL13634553 0.90 BCL3 (0.36) IRAK4ALDH1A1
SCHEMBL13634745 0.90 BCL3 (0.36) IRAK4ALDH1A1
SCHEMBL13634770 0.87 PIM1 (0.36) PIM1IRAK4PIM3PIM2PRKCA
SCHEMBL13634505 0.86 PIM1 (0.35) PIM1IRAK4PIM3PIM2TGFBR1

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