SCHEMBL13634913

SCHEMBL13634913

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.37
ACKR3 P25106 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
GLS O94925 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GPR119 Q8TDV5 4/20 0.33
SCD O00767 2/20 0.33
SCD5 Q86SK9 2/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
TP53 P04637 1/20 0.32
BRD4 O60885 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
SCHEMBL13634575 1.00 TBK1 (0.37) TBK1ACKR3IRAK4HRH3GLS
SCHEMBL13164106 0.95 KDM4E (0.38) TBK1ACKR3IRAK4HRH3USP30
SCHEMBL13164107 0.95 KDM4E (0.38) TBK1ACKR3IRAK4HRH3USP30
SCHEMBL13634691 0.93 ACKR3 (0.38) TBK1ACKR3IRAK4HRH3USP30
SCHEMBL13634669 0.89 GLS (0.35) IRAK4HRH3GLSSCDSCD5
SCHEMBL13634768 0.89 GLS (0.35) IRAK4HRH3GLSSCDSCD5
SCHEMBL13634906 0.87 SCD (0.38) HRH3GLSSCDSCD5PARP1
SCHEMBL13634933 0.86 PDE4B (0.41) ACKR3USP30TP53
SCHEMBL13634923 0.85 CHEK1 (0.36) IRAK4GLSSCDSCD5PARP1
SCHEMBL13634574 0.85 CHEK1 (0.36) IRAK4GLSSCDSCD5PARP1

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