SCHEMBL13638882

SCHEMBL13638882

COCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1coc(N(C)CCOC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GRM2 Q14416 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
F10 P00742 3/20 0.33
PIK3CA P42336 4/20 0.33
WNT3A P56704 1/20 0.33
PDE1B Q01064 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL13634614 0.96 JAK2 (0.37) KMT2ANAPEPLDJAK2JAK1GRM2
SCHEMBL13634592 0.92 JAK2 (0.39) NAPEPLDJAK2JAK1GRM2F10
SCHEMBL13634942 0.92 JAK2 (0.39) NAPEPLDJAK2JAK1GRM2F10
SCHEMBL13162423 0.90 JAK2 (0.39) NAPEPLDJAK2JAK1GRM2F10
SCHEMBL13270594 0.89 KMT2A (0.37) KMT2ANAPEPLDJAK2JAK1GRM2
SCHEMBL13164115 0.89 KMT2A (0.52) KMT2ANAPEPLDMEN1ALDH1A1CYP1A2
SCHEMBL13638816 0.87 IRAK4 (0.46) KMT2ANAPEPLDJAK2JAK1GRM2
SCHEMBL13638877 0.86 KMT2A (0.38) KMT2ANAPEPLDJAK2JAK1GRM2
SCHEMBL13634865 0.85 JAK2 (0.36) KMT2ANAPEPLDJAK2JAK1GRM2
SCHEMBL13634746 0.84 KMT2A (0.46) KMT2ANAPEPLDMEN1ALDH1A1CYP1A2

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