SCHEMBL13634504

SCHEMBL13634504

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
IRAK4 Q9NWZ3 5/20 0.36
GPR6 P46095 6/20 0.35
TBK1 Q9UHD2 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKCA P17252 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
PRKCQ Q04759 1/20 0.33

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
SCHEMBL13634770 0.92 PIM1 (0.36) PIM1PIM3PIM2IRAK4GPR6
SCHEMBL13634860 0.91 POLB (0.43) LMNAPOLBSMN1; SMN2
SCHEMBL13634505 0.91 PIM1 (0.35) PIM1PIM3PIM2IRAK4GPR6
SCHEMBL13634796 0.89 GPR6 (0.37) PIM1PIM3PIM2IRAK4GPR6
SCHEMBL13638767 0.88 KDM4E (0.39) PIM1PIM3PIM2IRAK4GPR6
SCHEMBL13634622 0.87 PIM1 (0.48) PIM1PIM3PIM2IRAK4GPR6
SCHEMBL13634840 0.87 PIM1 (0.37) PIM1PIM3PIM2IRAK4GPR6
SCHEMBL13634506 0.87 PIM1 (0.39) PIM1PIM3PIM2IRAK4PRKCA
SCHEMBL13634839 0.86 PIM1 (0.39) PIM1PIM3PIM2IRAK4PRKCA
SCHEMBL13634623 0.86 PIM1 (0.44) PIM1IRAK4GPR6

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