SCHEMBL13634846

SCHEMBL13634846

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCOC[C@@H]4C)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.37
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
GRM2 Q14416 3/20 0.35
KMT2A Q03164 3/20 0.34
OPRK1 P41145 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 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
SCHEMBL13634847 1.00 IRAK4 (0.37) IRAK4SCDSCD5GRM2KMT2A
SCHEMBL13634750 0.93 IRAK4 (0.38) IRAK4SCDSCD5GRM2KMT2A
SCHEMBL13638891 0.93 IRAK4 (0.38) IRAK4SCDSCD5GRM2KMT2A
SCHEMBL13634644 0.92 SCD (0.35) IRAK4SCDSCD5KMT2AOPRK1
SCHEMBL13634897 0.91 SCD (0.36) SCDSCD5
SCHEMBL13270650 0.90 MAPT (0.39) IRAK4SCDSCD5KMT2AMEN1
SCHEMBL13634659 0.90 SCD (0.35) IRAK4SCDSCD5
SCHEMBL13634561 0.89 IRAK4 (0.39) IRAK4SCDSCD5KMT2AOPRK1
SCHEMBL13634660 0.89 IRAK4 (0.39) IRAK4SCDSCD5KMT2AOPRK1
SCHEMBL13634732 0.89 CHEK1 (0.35) IRAK4SCDSCD5

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