SCHEMBL13638937

SCHEMBL13638937

COCCNC(=O)c1cc(N2CCO[C@H](COC)C2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.38
AXL P30530 2/20 0.37
KMT2A Q03164 2/20 0.36
OPRK1 P41145 1/20 0.36
IDH1 O75874 2/20 0.36
PDE5A O76074 1/20 0.33
MAPK14 Q16539 1/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 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
SCHEMBL13634523 0.95 IDH1 (0.38) IRAK4AXLKMT2AOPRK1IDH1
SCHEMBL13638992 0.92 IRAK4 (0.39) IRAK4KMT2AOPRK1IDH1MAPK14
SCHEMBL13634782 0.92 MALT1 (0.40) IRAK4KMT2AOPRK1IDH1MAPK14
SCHEMBL13638885 0.90 IRAK4 (0.47) IRAK4KMT2AOPRK1MAPK14
SCHEMBL13638818 0.90 DRD4 (0.41) AXLKMT2A
SCHEMBL13638823 0.90 DRD4 (0.41) AXLKMT2A
SCHEMBL13638990 0.86 MAP4K1 (0.38) IRAK4IDH1SYK
SCHEMBL13634602 0.86 IDH1 (0.40) IRAK4KMT2AOPRK1IDH1MAPK14
SCHEMBL13634800 0.84 IRAK4 (0.46) IRAK4KMT2AOPRK1MAPK14
SCHEMBL13634599 0.83 GPR6 (0.37) KMT2AOPRK1MEN1

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