SCHEMBL13634865

SCHEMBL13634865

CCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1coc(N(C)[C@H](C)COC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GRM2 Q14416 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
NAPEPLD Q6IQ20 2/20 0.32
PDE1B Q01064 1/20 0.31
IRAK4 Q9NWZ3 3/20 0.31
F10 P00742 1/20 0.31
S1PR1 P21453 1/20 0.31
DRD4 P21917 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL13270594 0.96 KMT2A (0.37) JAK2JAK1GRM2KMT2AMEN1
SCHEMBL13634614 0.90 JAK2 (0.37) JAK2JAK1GRM2KMT2AMEN1
SCHEMBL13634822 0.87 JAK2 (0.34) JAK2JAK1GRM2KMT2AMEN1
SCHEMBL13634722 0.87 JAK2 (0.34) JAK2JAK1GRM2KMT2AMEN1
SCHEMBL13638882 0.85 KMT2A (0.39) JAK2JAK1GRM2KMT2AMEN1
SCHEMBL13638769 0.83 KMT2A (0.37) JAK2JAK1GRM2KMT2AMEN1
SCHEMBL13638772 0.83 KMT2A (0.37) JAK2JAK1GRM2KMT2AMEN1
SCHEMBL13634720 0.82 IRAK4 (0.47) JAK2JAK1GRM2KMT2AMEN1
SCHEMBL13638816 0.81 IRAK4 (0.46) JAK2JAK1GRM2KMT2AMEN1
SCHEMBL13634592 0.80 JAK2 (0.39) JAK2JAK1GRM2MAPTNAPEPLD

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