SCHEMBL13638877

SCHEMBL13638877

COCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1csc(N(C)CCOC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
NAPEPLD Q6IQ20 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GRM2 Q14416 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
WNT3A P56704 1/20 0.34
F10 P00742 3/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
PIK3CA P42336 3/20 0.32
PDE1B Q01064 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 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
SCHEMBL13634678 0.96 JAK2 (0.35) KMT2ANAPEPLDJAK2JAK1GRM2
SCHEMBL13634789 0.92 JAK2 (0.37) NAPEPLDJAK2JAK1GRM2F10
SCHEMBL13634938 0.92 JAK2 (0.37) NAPEPLDJAK2JAK1GRM2F10
SCHEMBL13638907 0.91 NAPEPLD (0.37) KMT2ANAPEPLDJAK2JAK1GRM2
SCHEMBL13638782 0.90 JAK2 (0.36) NAPEPLDJAK2JAK1GRM2F10
SCHEMBL13638769 0.90 KMT2A (0.37) KMT2ANAPEPLDJAK2JAK1GRM2
SCHEMBL13638772 0.90 KMT2A (0.37) KMT2ANAPEPLDJAK2JAK1GRM2
SCHEMBL2772504 0.89 KMT2A (0.51) KMT2ANAPEPLDMEN1ALDH1A1CYP1A2
SCHEMBL13638888 0.89 MAPK1 (0.36) KMT2ANAPEPLDJAK2JAK1GRM2
SCHEMBL13634813 0.88 KMT2A (0.41) KMT2ANAPEPLDJAK2JAK1GRM2

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