SCHEMBL13634798

SCHEMBL13634798

O=C(Nc1ccncc1C(=O)N[C@H]1CC[C@H](O)CC1)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.48
TYK2 P29597 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
PAICS P22234 1/20 0.36
GPR6 P46095 3/20 0.35
SYK P43405 2/20 0.35
IRAK1 P51617 1/20 0.35
HSD11B1 P28845 1/20 0.35
SMO Q99835 1/20 0.35

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
SCHEMBL13634835 0.94 PIM1 (0.42) PIM1TYK2MEN1KMT2ACYP46A1
SCHEMBL13634676 0.86 GPR6 (0.42) PIM1PAICSGPR6SMO
SCHEMBL13634801 0.85 CNR1 (0.46) PIM1IRAK4PAICSGPR6
SCHEMBL13634596 0.85 GPR6 (0.38) PIM1PAICSGPR6
SCHEMBL13634635 0.84 PIM1 (0.45) PIM1IRAK4GPR6
SCHEMBL13638871 0.84 TGFBR1 (0.36) PIM1TYK2PAICSGPR6
SCHEMBL13634508 0.84 ALDH1A1 (0.41) PAICSGPR6
SCHEMBL13634512 0.84 SCD (0.39) PIM1PIM2PAICSGPR6
SCHEMBL13634580 0.84 GPR6 (0.36) PAICSGPR6
SCHEMBL13634792 0.83 PDE10A (0.46) PIM1PIM3PIM2IRAK4PAICS

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