SCHEMBL13634868

SCHEMBL13634868

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GRM2 Q14416 1/20 0.35
NAPEPLD Q6IQ20 3/20 0.34
F10 P00742 2/20 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
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
S1PR1 P21453 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CHEK1 O14757 1/20 0.31
GAA P10253 1/20 0.31
F2 P00734 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
SCHEMBL13634678 0.90 JAK2 (0.35) JAK2JAK1GRM2NAPEPLDF10
SCHEMBL13634552 0.87 JAK2 (0.36) JAK2JAK1GRM2NAPEPLDALDH1A1
SCHEMBL13634626 0.85 NAPEPLD (0.35) JAK2JAK1GRM2NAPEPLDF10
SCHEMBL13638877 0.85 KMT2A (0.38) JAK2JAK1GRM2NAPEPLDF10
SCHEMBL13634722 0.85 JAK2 (0.34) JAK2JAK1GRM2NAPEPLDF10
SCHEMBL13634822 0.85 JAK2 (0.34) JAK2JAK1GRM2NAPEPLDF10
SCHEMBL13634718 0.84 IRAK4 (0.47) KMT2AIRAK4
SCHEMBL13634799 0.81 IRAK4 (0.41) JAK2JAK1GRM2KMT2AIRAK4
SCHEMBL13638769 0.81 KMT2A (0.37) JAK2JAK1GRM2NAPEPLDF10
SCHEMBL13638772 0.81 KMT2A (0.37) JAK2JAK1GRM2NAPEPLDF10

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