SCHEMBL13634606

SCHEMBL13634606

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.43
CHEK1 O14757 1/20 0.43
PDE4D Q08499 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SCD O00767 1/20 0.42
HPGD P15428 1/20 0.41
GPR6 P46095 4/20 0.40
PDE5A O76074 1/20 0.40
SLC5A7 Q9GZV3 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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 0.93 IRAK4 (0.43) IRAK4CHEK1PDE4DSCDHPGD
SCHEMBL13638935 0.92 SCD (0.44) IRAK4CHEK1HRH3SCDHPGD
SCHEMBL13634598 0.92 HRH3 (0.42) IRAK4CHEK1HRH3SCDGPR6
SCHEMBL13634653 0.91 HRH3 (0.41) IRAK4CHEK1HRH3SCDGPR6
SCHEMBL13634527 0.90 HRH3 (0.41) IRAK4CHEK1HRH3SCDGPR6
SCHEMBL13634619 0.90 SCN9A (0.43) IRAK4CHEK1PDE4DSCDHPGD
SCHEMBL13634648 0.89 MAP3K7 (0.51) IRAK4CHEK1GPR6
SCHEMBL13634703 0.89 PDE4D (0.42) IRAK4CHEK1PDE4DSCDHPGD
SCHEMBL13634695 0.89 GPR6 (0.43) HRH3SCDGPR6PDE5A
SCHEMBL13638934 0.89 SCD (0.49) PDE4DHRH3SCDHPGDGPR6

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