SCHEMBL13638773

SCHEMBL13638773

COCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1csc(N2CCC(CCO)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
KMT2A Q03164 2/20 0.36
OPRK1 P41145 1/20 0.36
GRM2 Q14416 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13634737 0.93 IRAK4 (0.40) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13638764 0.93 IRAK4 (0.40) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13638768 0.92 IRAK4 (0.46) IRAK4KMT2AOPRK1
SCHEMBL13638993 0.90 IRAK4 (0.38) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13270458 0.90 IRAK4 (0.38) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL2771848 0.89 IRAK4 (0.37) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13634520 0.89 IRAK4 (0.39) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13638946 0.88 IRAK4 (0.36) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13638950 0.88 IRAK4 (0.36) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13638889 0.88 IRAK4 (0.36) IRAK4JAK2JAK1KMT2AOPRK1

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