SCHEMBL13634866

SCHEMBL13634866

CCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1csc(N2CC[C@H](F)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GRM2 Q14416 1/20 0.35
DNM1L O00429 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD4 P21917 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
SCHEMBL13634524 0.93 IRAK4 (0.37) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13638993 0.93 IRAK4 (0.38) IRAK4JAK2JAK1GRM2DNM1L
SCHEMBL13634549 0.93 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634799 0.92 IRAK4 (0.41) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634556 0.91 IRAK4 (0.37) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634718 0.91 IRAK4 (0.47) IRAK4KMT2A
SCHEMBL13634836 0.91 IRAK4 (0.37) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634764 0.91 IRAK4 (0.37) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634737 0.90 IRAK4 (0.40) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634661 0.89 S1PR1 (0.42) IRAK4KMT2ADRD4

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