SCHEMBL13634878

SCHEMBL13634878

COC1CN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3C(=O)Nc3cccnc3)cs2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.43
DNM1L O00429 1/20 0.38
PIM1 P11309 3/20 0.37
PIM3 Q86V86 3/20 0.37
PIM2 Q9P1W9 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
LRRK2 Q5S007 2/20 0.35
PIK3CA P42336 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL13634936 0.88 IRAK4 (0.41) IRAK4JAK2JAK1GRM2
SCHEMBL13270719 0.88 IRAK4 (0.41) IRAK4JAK2JAK1GRM2
SCHEMBL13270709 0.87 IRAK4 (0.39) IRAK4JAK2JAK1GRM2
SCHEMBL13634539 0.87 IRAK4 (0.39) IRAK4JAK2JAK1GRM2
SCHEMBL13634520 0.86 IRAK4 (0.39) IRAK4JAK2JAK1GRM2
SCHEMBL13638781 0.86 IRAK4 (0.39) IRAK4JAK2JAK1GRM2
SCHEMBL13634605 0.85 PIM1 (0.40) IRAK4DNM1LPIM1JAK2JAK1
SCHEMBL13634842 0.84 IRAK4 (0.39) IRAK4JAK2JAK1GRM2
SCHEMBL2769203 0.83 IRAK4 (0.39) IRAK4JAK2JAK1GRM2
SCHEMBL13634904 0.83 IRAK4 (0.39) IRAK4JAK2JAK1GRM2

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