SCHEMBL13634680

SCHEMBL13634680

COCCN(C)C(=O)c1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
LRRK2 Q5S007 2/20 0.41
GPR6 P46095 4/20 0.40
IRAK4 Q9NWZ3 4/20 0.39
CHEK1 O14757 1/20 0.39
HPGD P15428 1/20 0.39
PDE4D Q08499 1/20 0.38
NAMPT P43490 1/20 0.38
SCD O00767 1/20 0.37
CYP1A2 P05177 1/20 0.37
SLC5A7 Q9GZV3 1/20 0.37
IGF1R P08069 1/20 0.37

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
SCHEMBL13634679 0.87 IRAK4 (0.43) GPR6IRAK4CHEK1HPGDPDE4D
SCHEMBL13634606 0.87 IRAK4 (0.43) GPR6IRAK4CHEK1HPGDPDE4D
SCHEMBL13634619 0.84 SCN9A (0.43) GPR6IRAK4CHEK1HPGDPDE4D
SCHEMBL13634703 0.83 PDE4D (0.42) GPR6IRAK4CHEK1HPGDPDE4D
SCHEMBL13634648 0.83 MAP3K7 (0.51) LRRK2GPR6IRAK4CHEK1
SCHEMBL13638770 0.82 GPR6 (0.42) GPR6IRAK4CHEK1SCD
SCHEMBL13638935 0.80 SCD (0.44) GPR6IRAK4CHEK1HPGDSCD
SCHEMBL13634803 0.80 IRAK4 (0.43) LRRK2IRAK4CHEK1HPGDPDE4D
SCHEMBL13634598 0.79 HRH3 (0.42) GPR6IRAK4CHEK1SCD
SCHEMBL13634653 0.79 HRH3 (0.41) GPR6IRAK4CHEK1SCD

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