SCHEMBL13638907

SCHEMBL13638907

COCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1csc(N(C)CCCOc2ncccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 2/20 0.37
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
KMT2A Q03164 2/20 0.34
GRM2 Q14416 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
WNT3A P56704 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KIT P10721 3/20 0.32
BRAF P15056 3/20 0.32
MCHR1 Q99705 1/20 0.32
KLKB1 P03952 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1B Q01064 1/20 0.31

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
SCHEMBL13634626 0.95 NAPEPLD (0.35) NAPEPLDJAK2JAK1KMT2AGRM2
SCHEMBL13638877 0.91 KMT2A (0.38) NAPEPLDJAK2JAK1KMT2AGRM2
SCHEMBL13634678 0.88 JAK2 (0.35) NAPEPLDJAK2JAK1KMT2AGRM2
SCHEMBL13638772 0.84 KMT2A (0.37) NAPEPLDJAK2JAK1KMT2AGRM2
SCHEMBL13638769 0.84 KMT2A (0.37) NAPEPLDJAK2JAK1KMT2AGRM2
SCHEMBL13634938 0.84 JAK2 (0.37) NAPEPLDJAK2JAK1GRM2IRAK4
SCHEMBL13634789 0.84 JAK2 (0.37) NAPEPLDJAK2JAK1GRM2IRAK4
SCHEMBL13638888 0.83 MAPK1 (0.36) NAPEPLDJAK2JAK1KMT2AGRM2
SCHEMBL13634813 0.83 KMT2A (0.41) NAPEPLDJAK2JAK1KMT2AGRM2
SCHEMBL13638782 0.82 JAK2 (0.36) NAPEPLDJAK2JAK1GRM2IRAK4

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