SCHEMBL13634796

SCHEMBL13634796

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.35
PIM1 P11309 8/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PIM2 Q9P1W9 3/20 0.34
PIM3 Q86V86 2/20 0.34
TGFBR1 P36897 2/20 0.34
NAMPT P43490 1/20 0.34
TGFBR2 P37173 1/20 0.33
PDE10A Q9Y233 1/20 0.33
BUB1 O43683 1/20 0.32
THRB P10828 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
SCHEMBL13634840 0.95 PIM1 (0.37) GPR6IRAK4PIM1CNR1CNR2
SCHEMBL13634506 0.92 PIM1 (0.39) IRAK4PIM1CNR1CNR2PIM2
SCHEMBL13634726 0.92 GPR6 (0.38) GPR6IRAK4
SCHEMBL13638767 0.92 KDM4E (0.39) GPR6IRAK4PIM1CNR1CNR2
SCHEMBL13634839 0.91 PIM1 (0.39) IRAK4PIM1CNR1CNR2PIM2
SCHEMBL13638905 0.89 PIM1 (0.36) GPR6IRAK4PIM1CNR1CNR2
SCHEMBL13634505 0.89 PIM1 (0.35) GPR6IRAK4PIM1PIM2PIM3
SCHEMBL13634676 0.89 GPR6 (0.42) GPR6PIM1CNR1CNR2NAMPT
SCHEMBL13634504 0.89 PIM1 (0.37) GPR6IRAK4PIM1PIM2PIM3
SCHEMBL13634770 0.89 PIM1 (0.36) GPR6IRAK4PIM1PIM2PIM3

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