SCHEMBL13638987

SCHEMBL13638987

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.35
JAK3 P52333 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TGFBR1 P36897 2/20 0.32
TGFBR2 P37173 2/20 0.32
GPR6 P46095 2/20 0.31
FSHR P23945 1/20 0.31
PIM3 Q86V86 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
TBXA2R P21731 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL13638905 0.99 PIM1 (0.36) PIM1JAK3IRAK4CNR1CNR2
SCHEMBL13634839 0.91 PIM1 (0.39) PIM1IRAK4CNR1CNR2TGFBR1
SCHEMBL13634840 0.91 PIM1 (0.37) PIM1IRAK4CNR1CNR2TGFBR1
SCHEMBL13634506 0.91 PIM1 (0.39) PIM1IRAK4CNR1CNR2TGFBR1
SCHEMBL13638767 0.90 KDM4E (0.39) PIM1IRAK4CNR1CNR2GPR6
SCHEMBL13634796 0.88 GPR6 (0.37) PIM1IRAK4CNR1CNR2TGFBR1
SCHEMBL13634505 0.85 PIM1 (0.35) PIM1IRAK4TGFBR1GPR6PIM3
SCHEMBL13634770 0.84 PIM1 (0.36) PIM1IRAK4GPR6PIM3PIM2
SCHEMBL13634504 0.83 PIM1 (0.37) PIM1IRAK4GPR6PIM3PIM2
SCHEMBL13634622 0.83 PIM1 (0.48) PIM1IRAK4TGFBR1GPR6PIM3

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