SCHEMBL13634883

SCHEMBL13634883

O=C(Nc1cccnc1)c1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
NAMPT P43490 6/20 0.40
CXCR3 P49682 1/20 0.39
DNM1L O00429 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL13634849 0.88 GPR6 (0.41) NPC1DNM1LPIM1CHEK1
SCHEMBL13634881 0.87 NPC1 (0.40) NPC1PIM1CHEK1
SCHEMBL13634653 0.86 HRH3 (0.41) NPC1IRAK4CHEK1
SCHEMBL13634863 0.83 MAP3K7 (0.48) IRAK4GSK3B
SCHEMBL13634882 0.82 MAP3K7 (0.39) NPC1PIM1CHEK1
SCHEMBL13634880 0.81 RAB9A (0.40) NPC1MAPK1PIM1
SCHEMBL13634826 0.81 GPR6 (0.39) NPC1PIM1CHEK1
SCHEMBL13634547 0.80 MAP3K7 (0.39) IRAK4PIM1
SCHEMBL13270414 0.79 UTS2R (0.38) NPC1IRAK4CHEK1
SCHEMBL13634828 0.79 RAB9A (0.41) NPC1MAPK1PIM1

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