SCHEMBL13634768

SCHEMBL13634768

CCCNC(=O)c1cc(CN2CCN(C)C[C@H]2C)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.35
NAPEPLD Q6IQ20 1/20 0.35
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
PIN1 Q13526 3/20 0.33
S1PR1 P21453 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
PARP1 P09874 1/20 0.32
TNK1 Q13470 1/20 0.32
GPR6 P46095 1/20 0.32
FGFR1 P11362 1/20 0.32
CHEK1 O14757 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
NAMPT P43490 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL13634669 1.00 GLS (0.35) GLSNAPEPLDSCDSCD5IRAK4
SCHEMBL13270441 0.94 NAPEPLD (0.35) NAPEPLDSCDSCD5IRAK4PIN1
SCHEMBL13164119 0.94 NAPEPLD (0.35) NAPEPLDSCDSCD5IRAK4PIN1
SCHEMBL13162738 0.94 NAPEPLD (0.35) NAPEPLDSCDSCD5IRAK4PIN1
SCHEMBL13634659 0.93 SCD (0.35) NAPEPLDSCDSCD5IRAK4PIN1
SCHEMBL13634906 0.90 SCD (0.38) GLSNAPEPLDSCDSCD5PIN1
SCHEMBL13634750 0.89 IRAK4 (0.38) GLSSCDSCD5IRAK4
SCHEMBL13634574 0.89 CHEK1 (0.36) GLSSCDSCD5IRAK4PARP1
SCHEMBL13634923 0.89 CHEK1 (0.36) GLSSCDSCD5IRAK4PARP1
SCHEMBL13634760 0.89 GLS (0.40) GLSNAPEPLDSCDSCD5PIN1

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