SCHEMBL13634730

SCHEMBL13634730

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
IRAK4 Q9NWZ3 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ACACB O00763 1/20 0.36
OGA O60502 1/20 0.35
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
GRM2 Q14416 1/20 0.35
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
SCHEMBL13634539 0.95 IRAK4 (0.39) KMT2AIRAK4JAK2JAK1OGA
SCHEMBL13634901 0.95 KMT2A (0.38) KMT2AIRAK4JAK2JAK1ACACB
SCHEMBL13638919 0.94 KMT2A (0.38) KMT2AIRAK4JAK2JAK1ACACB
SCHEMBL13634842 0.93 IRAK4 (0.39) KMT2AIRAK4JAK2JAK1SCD
SCHEMBL13634904 0.92 IRAK4 (0.39) KMT2AIRAK4JAK2JAK1SCD
SCHEMBL2769203 0.92 IRAK4 (0.39) KMT2AIRAK4JAK2JAK1SCD
SCHEMBL13634632 0.92 IRAK4 (0.37) KMT2AIRAK4JAK2JAK1OGA
SCHEMBL13634756 0.92 IRAK4 (0.38) KMT2AIRAK4JAK2JAK1SCD
SCHEMBL13634554 0.92 IRAK4 (0.38) KMT2AIRAK4JAK2JAK1SCD
SCHEMBL13634735 0.92 GRM2 (0.40) KMT2AIRAK4JAK2JAK1SCD

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