SCHEMBL13634626

SCHEMBL13634626

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 5/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
GRM2 Q14416 1/20 0.33
MCHR1 Q99705 1/20 0.32
S1PR1 P21453 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
F10 P00742 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KLKB1 P03952 1/20 0.30
PDE5A O76074 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
SCHEMBL13638907 0.95 NAPEPLD (0.37) NAPEPLDJAK2JAK1GRM2MCHR1
SCHEMBL13634678 0.90 JAK2 (0.35) NAPEPLDJAK2JAK1GRM2S1PR1
SCHEMBL13638877 0.86 KMT2A (0.38) NAPEPLDJAK2JAK1GRM2IRAK4
SCHEMBL13634868 0.85 JAK2 (0.36) NAPEPLDJAK2JAK1GRM2S1PR1
SCHEMBL13634822 0.83 JAK2 (0.34) NAPEPLDJAK2JAK1GRM2S1PR1
SCHEMBL13634722 0.83 JAK2 (0.34) NAPEPLDJAK2JAK1GRM2S1PR1
SCHEMBL13634552 0.82 JAK2 (0.36) NAPEPLDJAK2JAK1GRM2MCHR1
SCHEMBL13634789 0.81 JAK2 (0.37) NAPEPLDJAK2JAK1GRM2IRAK4
SCHEMBL13634938 0.81 JAK2 (0.37) NAPEPLDJAK2JAK1GRM2IRAK4
SCHEMBL13638782 0.81 JAK2 (0.36) NAPEPLDJAK2JAK1GRM2S1PR1

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