SCHEMBL13634936

SCHEMBL13634936

COC1CN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3C(=O)O)cs2)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
GRM2 Q14416 1/20 0.37
KMT2A Q03164 2/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL2769203 0.95 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13270719 0.94 IRAK4 (0.41) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13270709 0.92 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13638781 0.92 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634539 0.92 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634520 0.91 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634605 0.90 PIM1 (0.40) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13634937 0.90 IRAK4 (0.50) IRAK4KMT2AOPRK1
SCHEMBL13634904 0.89 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634842 0.88 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