SCHEMBL13634632

SCHEMBL13634632

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3C(=O)NC3CCC3)cs2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.37
PDE4B Q07343 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MCHR1 Q99705 2/20 0.36
OGA O60502 1/20 0.35
GRM2 Q14416 1/20 0.35
PIM1 P11309 1/20 0.35
KMT2A Q03164 2/20 0.35
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
ACKR3 P25106 1/20 0.34
OPRK1 P41145 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
SCHEMBL13634756 0.97 IRAK4 (0.38) IRAK4PDE4BJAK2JAK1MCHR1
SCHEMBL13634743 0.96 PIM1 (0.39) IRAK4PDE4BJAK2JAK1MCHR1
SCHEMBL15888672 0.94 JAK2 (0.34) IRAK4PDE4BJAK2JAK1MCHR1
SCHEMBL13634892 0.93 IRAK4 (0.36) IRAK4PDE4BJAK2JAK1MCHR1
SCHEMBL13270449 0.93 IRAK4 (0.36) IRAK4PDE4BJAK2JAK1MCHR1
SCHEMBL13634605 0.92 PIM1 (0.40) IRAK4PDE4BJAK2JAK1MCHR1
SCHEMBL13634730 0.92 KMT2A (0.39) IRAK4JAK2JAK1OGAGRM2
SCHEMBL13634842 0.92 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634904 0.91 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL2769203 0.91 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A

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