SCHEMBL13634840

SCHEMBL13634840

CCCCCNC(=O)c1cnccc1NC(=O)c1coc(N2CC[C@@H](Oc3ncccn3)[C@@H](F)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.37
IRAK4 Q9NWZ3 2/20 0.34
GPR6 P46095 1/20 0.33
HPGD P15428 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
PIM3 Q86V86 1/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ACKR3 P25106 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TBXA2R P21731 1/20 0.32
TBXAS1 P24557 1/20 0.32
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL13634796 0.95 GPR6 (0.37) PIM1IRAK4GPR6PIM2PIM3
SCHEMBL13638767 0.94 KDM4E (0.39) PIM1IRAK4GPR6HPGDPIM2
SCHEMBL13634839 0.94 PIM1 (0.39) PIM1IRAK4HPGDPIM2PIM3
SCHEMBL13634506 0.93 PIM1 (0.39) PIM1IRAK4HPGDPIM2PIM3
SCHEMBL13638905 0.91 PIM1 (0.36) PIM1IRAK4GPR6PIM2PIM3
SCHEMBL13638987 0.91 PIM1 (0.35) PIM1IRAK4GPR6PIM2PIM3
SCHEMBL13634596 0.87 GPR6 (0.38) PIM1GPR6HPGDCNR1CNR2
SCHEMBL13634505 0.87 PIM1 (0.35) PIM1IRAK4GPR6PIM2PIM3
SCHEMBL13634726 0.87 GPR6 (0.38) IRAK4GPR6HPGDLMNAKDM4E
SCHEMBL13634504 0.87 PIM1 (0.37) PIM1IRAK4GPR6PIM2PIM3

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