SCHEMBL13634837

SCHEMBL13634837

O=C(Nc1ccncc1C(=O)N[C@H]1CCCOC1)c1coc(N2CCC(Oc3ncccn3)C(F)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.40
IRAK4 Q9NWZ3 4/20 0.36
GPR6 P46095 1/20 0.35
TGFBR1 P36897 3/20 0.35
NAMPT P43490 1/20 0.35
PDE10A Q9Y233 1/20 0.34
NTRK1 P04629 1/20 0.34
CNR2 P34972 1/20 0.33
SMO Q99835 1/20 0.33
GRM4 Q14833 1/20 0.33
DGAT2 Q96PD7 1/20 0.33

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
SCHEMBL13634623 0.96 PIM1 (0.44) PIM1IRAK4GPR6TGFBR1NAMPT
SCHEMBL13634622 0.92 PIM1 (0.48) PIM1IRAK4GPR6TGFBR1NAMPT
SCHEMBL13634630 0.88 GPR6 (0.40) PIM1IRAK4GPR6NAMPTNTRK1
SCHEMBL13634631 0.88 GPR6 (0.40) PIM1IRAK4GPR6NAMPTNTRK1
SCHEMBL13634505 0.86 PIM1 (0.35) PIM1IRAK4GPR6TGFBR1
SCHEMBL13634770 0.86 PIM1 (0.36) PIM1IRAK4GPR6
SCHEMBL13634504 0.85 PIM1 (0.37) PIM1IRAK4GPR6
SCHEMBL13634796 0.84 GPR6 (0.37) PIM1IRAK4GPR6TGFBR1NAMPT
SCHEMBL13634506 0.84 PIM1 (0.39) PIM1IRAK4TGFBR1CNR2
SCHEMBL13634544 0.84 MEN1 (0.40) PIM1IRAK4GPR6GRM4

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