SCHEMBL13634678

SCHEMBL13634678

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
NAPEPLD Q6IQ20 3/20 0.35
GRM2 Q14416 1/20 0.35
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
S1PR1 P21453 1/20 0.33
F10 P00742 3/20 0.32
IRAK4 Q9NWZ3 3/20 0.32
PIK3CA P42336 2/20 0.32
PDE1B Q01064 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL13638877 0.96 KMT2A (0.38) JAK2JAK1NAPEPLDGRM2KMT2A
SCHEMBL13634938 0.91 JAK2 (0.37) JAK2JAK1NAPEPLDGRM2F10
SCHEMBL13634789 0.91 JAK2 (0.37) JAK2JAK1NAPEPLDGRM2F10
SCHEMBL13634626 0.90 NAPEPLD (0.35) JAK2JAK1NAPEPLDGRM2KMT2A
SCHEMBL13638782 0.90 JAK2 (0.36) JAK2JAK1NAPEPLDGRM2S1PR1
SCHEMBL13634722 0.90 JAK2 (0.34) JAK2JAK1NAPEPLDGRM2KMT2A
SCHEMBL13634822 0.90 JAK2 (0.34) JAK2JAK1NAPEPLDGRM2KMT2A
SCHEMBL13634868 0.90 JAK2 (0.36) JAK2JAK1NAPEPLDGRM2KMT2A
SCHEMBL13634911 0.89 KMT2A (0.45) NAPEPLDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13638907 0.88 NAPEPLD (0.37) JAK2JAK1NAPEPLDGRM2KMT2A

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