SCHEMBL13634699

SCHEMBL13634699

CC1(C)COCCN1Cc1ccc(NC(=O)c2coc(N3CCOCC3)n2)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.50
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GRM2 Q14416 1/20 0.41
PIK3C2B O00750 1/20 0.38
ACHE P22303 1/20 0.38
ABCB1 P08183 1/20 0.37
MAPT P10636 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL13634721 0.92 IRAK4 (0.49) IRAK4JAK2JAK1GRM2ABCB1
SCHEMBL13634720 0.89 IRAK4 (0.47) IRAK4JAK2JAK1GRM2ABCB1
SCHEMBL13634550 0.89 IRAK4 (0.46) IRAK4JAK2JAK1GRM2
SCHEMBL13638816 0.88 IRAK4 (0.46) IRAK4JAK2JAK1GRM2ABCB1
SCHEMBL13634784 0.86 IRAK4 (0.51) IRAK4MAPT
SCHEMBL13634715 0.86 IRAK4 (0.44) IRAK4JAK2JAK1GRM2MAPT
SCHEMBL13634937 0.85 IRAK4 (0.50) IRAK4
SCHEMBL13270469 0.82 IRAK4 (0.47) IRAK4ACHE
SCHEMBL13634942 0.82 JAK2 (0.39) IRAK4JAK2JAK1GRM2ACHE
SCHEMBL13270421 0.80 IRAK4 (0.45) IRAK4JAK2JAK1

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