SCHEMBL13634614

SCHEMBL13634614

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
NAPEPLD Q6IQ20 4/20 0.35
GRM2 Q14416 1/20 0.35
KMT2A Q03164 2/20 0.35
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
S1PR1 P21453 1/20 0.33
F10 P00742 3/20 0.33
PIK3CA P42336 3/20 0.32
PDE1B Q01064 1/20 0.32
IRAK4 Q9NWZ3 3/20 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
SCHEMBL13638882 0.96 KMT2A (0.39) JAK2JAK1NAPEPLDGRM2KMT2A
SCHEMBL13634592 0.91 JAK2 (0.39) JAK2JAK1NAPEPLDGRM2F10
SCHEMBL13634942 0.91 JAK2 (0.39) JAK2JAK1NAPEPLDGRM2F10
SCHEMBL13634865 0.90 JAK2 (0.36) JAK2JAK1NAPEPLDGRM2KMT2A
SCHEMBL13634746 0.89 KMT2A (0.46) NAPEPLDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13162423 0.89 JAK2 (0.39) JAK2JAK1NAPEPLDGRM2S1PR1
SCHEMBL13634678 0.87 JAK2 (0.35) JAK2JAK1NAPEPLDGRM2KMT2A
SCHEMBL13270594 0.85 KMT2A (0.37) JAK2JAK1NAPEPLDGRM2KMT2A
SCHEMBL13164115 0.85 KMT2A (0.52) NAPEPLDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13634720 0.84 IRAK4 (0.47) 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