SCHEMBL13638889

SCHEMBL13638889

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KMT2A Q03164 2/20 0.34
OPRK1 P41145 1/20 0.34
GUCY1B2 O75343 3/20 0.34
GUCY1A2 P33402 3/20 0.34
GUCY1A1 Q02108 3/20 0.34
GUCY1B1 Q02153 3/20 0.34
PIN1 Q13526 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
GRM2 Q14416 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
SCHEMBL13638950 1.00 IRAK4 (0.36) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13638778 0.95 IRAK4 (0.37) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13634764 0.95 IRAK4 (0.37) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13634836 0.95 IRAK4 (0.37) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL2771848 0.94 IRAK4 (0.37) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13638892 0.92 IRAK4 (0.36) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13638993 0.91 IRAK4 (0.38) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13270458 0.91 IRAK4 (0.38) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13634520 0.91 IRAK4 (0.39) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13638945 0.90 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