SCHEMBL13634910

SCHEMBL13634910

CCCNC(=O)c1cc(C2CCN(C)C2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.35
GLS O94925 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
CHEK1 O14757 1/20 0.34
FGFR1 P11362 1/20 0.34
GPR6 P46095 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
SCD O00767 2/20 0.33
SCD5 Q86SK9 2/20 0.33
PIM1 P11309 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
SLC8A1 P32418 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 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
SCHEMBL13638923 0.94 PIN1 (0.35) PIN1IRAK4CHEK1FGFR1HRH3
SCHEMBL13634577 0.90 PIN1 (0.34) PIN1GLSIRAK4GPR6SCD
SCHEMBL13634658 0.89 GLS (0.40) PIN1GLSNAPEPLDSCDSCD5
SCHEMBL13634773 0.88 CHEK1 (0.37) PIN1CHEK1
SCHEMBL13634933 0.88 PDE4B (0.41)
SCHEMBL13634760 0.87 GLS (0.40) PIN1GLSCHEK1GPR6HRH3
SCHEMBL13634751 0.86 GLS (0.39) PIN1GLSCHEK1GPR6HRH3
SCHEMBL13634924 0.86 GLS (0.39) PIN1GLSCHEK1GPR6HRH3
SCHEMBL13634578 0.85 GLS (0.39) PIN1GLSCHEK1GPR6HRH3
SCHEMBL13634918 0.85 GLS (0.39) PIN1GLSCHEK1GPR6HRH3

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