SCHEMBL13634892

SCHEMBL13634892

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3C(=O)N[C@H]3CCOC3)cs2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PIM1 P11309 2/20 0.35
DNM1L O00429 1/20 0.35
GPR6 P46095 1/20 0.34
PDE4B Q07343 1/20 0.34
MCHR1 Q99705 2/20 0.34
KMT2A Q03164 1/20 0.34
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33

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
SCHEMBL13270449 1.00 IRAK4 (0.36) IRAK4JAK2JAK1PIM1DNM1L
SCHEMBL13634743 0.96 PIM1 (0.39) IRAK4JAK2JAK1PIM1DNM1L
SCHEMBL13634756 0.95 IRAK4 (0.38) IRAK4JAK2JAK1PIM1PDE4B
SCHEMBL15888623 0.94 JAK2 (0.34) JAK2JAK1DNM1LGPR6MCHR1
SCHEMBL13634632 0.93 IRAK4 (0.37) IRAK4JAK2JAK1PIM1PDE4B
SCHEMBL13634605 0.92 PIM1 (0.40) IRAK4JAK2JAK1PIM1DNM1L
SCHEMBL13634842 0.91 IRAK4 (0.39) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL13270637 0.90 DNM1L (0.35) IRAK4JAK2JAK1PIM1DNM1L
SCHEMBL2769203 0.90 IRAK4 (0.39) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL13634904 0.90 IRAK4 (0.39) IRAK4JAK2JAK1KMT2ASCD

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