SCHEMBL13634800

SCHEMBL13634800

CCCNC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.46
OPRK1 P41145 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK14 Q16539 1/20 0.42
GPR6 P46095 1/20 0.39
IRAK1 P51617 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
SCHEMBL13638885 0.94 IRAK4 (0.47) IRAK4OPRK1KMT2AMAPK14IRAK1
SCHEMBL13634650 0.89 IRAK4 (0.50) IRAK4OPRK1KMT2AIRAK1
SCHEMBL13634783 0.89 IRAK4 (0.48) IRAK4OPRK1KMT2A
SCHEMBL13634885 0.88 GLS (0.41) OPRK1KMT2AGPR6
SCHEMBL13634876 0.87 GLS (0.41) OPRK1KMT2AGPR6
SCHEMBL13634843 0.87 GPR6 (0.38) IRAK4OPRK1KMT2AGPR6
SCHEMBL13634838 0.86 SCD (0.41) IRAK4OPRK1KMT2AGPR6
SCHEMBL13634857 0.85 GPR6 (0.39) IRAK4OPRK1KMT2AMAPK14GPR6
SCHEMBL13634523 0.85 IDH1 (0.38) IRAK4OPRK1KMT2AMAPK14GPR6
SCHEMBL13634818 0.85 MCHR1 (0.41) GPR6

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 1 patent. 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