SCHEMBL13634778

SCHEMBL13634778

N#Cc1ccc(OC2CCN(c3nc(C(=O)Nc4ccncc4C(=O)N[C@@H]4CCOC4)co3)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
GPR6 P46095 8/20 0.39
PDE10A Q9Y233 1/20 0.38
P2RX3 P56373 1/20 0.38
SCN9A Q15858 3/20 0.37
TNF P01375 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
FASN P49327 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
PAICS P22234 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL13634791 1.00 PIM1 (0.39) PIM1GPR6PDE10AP2RX3SCN9A
SCHEMBL13634673 0.96 PIM1 (0.43) PIM1GPR6P2RX3IRAK4DPP4
SCHEMBL13634545 0.86 P2RX3 (0.41) GPR6P2RX3
SCHEMBL13634546 0.85 GPR6 (0.40) PIM1GPR6DPP4DPP8DPP9
SCHEMBL13634777 0.82 P2RX3 (0.44) GPR6P2RX3
SCHEMBL13634671 0.80 PDE10A (0.46) PIM1GPR6PDE10AIRAK4PAICS
SCHEMBL13634792 0.80 PDE10A (0.46) PIM1GPR6PDE10AIRAK4PAICS
SCHEMBL13634635 0.78 PIM1 (0.45) PIM1GPR6IRAK4TGFBR1
SCHEMBL13162688 0.78 P2RX3 (0.42) P2RX3IRAK4
SCHEMBL13634623 0.77 PIM1 (0.44) PIM1GPR6PDE10AIRAK4TGFBR1

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