SCHEMBL13634803

SCHEMBL13634803

COc1cc(C(=O)N2CCOCC2(C)C)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.43
LRRK2 Q5S007 5/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHEK1 O14757 1/20 0.38
IRAK1 P51617 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PDE4D Q08499 1/20 0.37
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
SCD O00767 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL13634606 0.85 IRAK4 (0.43) IRAK4LMNANPSR1CHEK1PDE4D
SCHEMBL13634679 0.85 IRAK4 (0.43) IRAK4LMNANPSR1CHEK1PDE4D
SCHEMBL13634648 0.84 MAP3K7 (0.51) IRAK4LRRK2CHEK1
SCHEMBL13634619 0.82 SCN9A (0.43) IRAK4CHEK1PDE4DSCDHPGD
SCHEMBL13634703 0.81 PDE4D (0.42) IRAK4CHEK1PDE4DSCDHPGD
SCHEMBL13634680 0.80 POLB (0.42) IRAK4LRRK2CHEK1PDE4DSCD
SCHEMBL13638935 0.78 SCD (0.44) IRAK4LMNACHEK1SCDHPGD
SCHEMBL13634598 0.78 HRH3 (0.42) IRAK4CHEK1SCD
SCHEMBL13634653 0.77 HRH3 (0.41) IRAK4CHEK1SCD
SCHEMBL13638941 0.77 MAP3K7 (0.43) IRAK4SCD

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