SCHEMBL13634691

SCHEMBL13634691

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCN(C(=O)OC(C)(C)C)C[C@@H]4C)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.38
TBK1 Q9UHD2 1/20 0.36
HRH3 Q9Y5N1 2/20 0.33
SCD O00767 2/20 0.33
SCD5 Q86SK9 2/20 0.33
PARP1 P09874 3/20 0.33
PARP2 Q9UGN5 3/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
USP30 Q70CQ3 1/20 0.32
GPR119 Q8TDV5 4/20 0.32
CNR2 P34972 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
SCHEMBL13164107 0.93 KDM4E (0.38) ACKR3TBK1HRH3SCDSCD5
SCHEMBL13634575 0.93 TBK1 (0.37) ACKR3TBK1HRH3SCDSCD5
SCHEMBL13634913 0.93 TBK1 (0.37) ACKR3TBK1HRH3SCDSCD5
SCHEMBL13164106 0.93 KDM4E (0.38) ACKR3TBK1HRH3SCDSCD5
SCHEMBL13634659 0.89 SCD (0.35) HRH3SCDSCD5IRAK4CNR2
SCHEMBL13634897 0.89 SCD (0.36) HRH3SCDSCD5CNR2
SCHEMBL13634847 0.86 IRAK4 (0.37) SCDSCD5IRAK4
SCHEMBL13634846 0.86 IRAK4 (0.37) SCDSCD5IRAK4
SCHEMBL13634732 0.86 CHEK1 (0.35) SCDSCD5IRAK4
SCHEMBL13638833 0.85 GRM2 (0.39) ACKR3SCDSCD5PARP1CNR2

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