SCHEMBL13634813

SCHEMBL13634813

COCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1csc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
GRM2 Q14416 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 2/20 0.36
WNT3A P56704 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
F10 P00742 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
PDE1B Q01064 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL13638768 0.90 IRAK4 (0.46) KMT2AIRAK4L3MBTL1
SCHEMBL13638877 0.88 KMT2A (0.38) KMT2AJAK2JAK1GRM2MEN1
SCHEMBL13270448 0.88 KMT2A (0.56) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL13638993 0.87 IRAK4 (0.38) KMT2AJAK2JAK1GRM2MEN1
SCHEMBL13634520 0.87 IRAK4 (0.39) KMT2AJAK2JAK1GRM2MEN1
SCHEMBL13638764 0.87 IRAK4 (0.40) KMT2AJAK2JAK1GRM2IRAK4
SCHEMBL13638769 0.86 KMT2A (0.37) KMT2AJAK2JAK1GRM2MEN1
SCHEMBL13638772 0.86 KMT2A (0.37) KMT2AJAK2JAK1GRM2MEN1
SCHEMBL13638831 0.86 IRAK4 (0.38) KMT2AJAK2JAK1GRM2MEN1
SCHEMBL13270458 0.86 IRAK4 (0.38) KMT2AJAK2JAK1GRM2MEN1

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 2 patents. 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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed