SCHEMBL13634623

SCHEMBL13634623

O=C(Nc1ccncc1C(=O)N[C@H]1CCOC1)c1coc(N2CCC(Oc3ncccn3)C(F)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.44
GPR6 P46095 1/20 0.39
TGFBR1 P36897 5/20 0.39
PDE10A Q9Y233 1/20 0.38
SMO Q99835 1/20 0.37
IRAK4 Q9NWZ3 4/20 0.36
GRM4 Q14833 2/20 0.35
NAMPT P43490 3/20 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
SCHEMBL13634837 0.96 PIM1 (0.40) PIM1GPR6TGFBR1PDE10ASMO
SCHEMBL13634622 0.96 PIM1 (0.48) PIM1GPR6TGFBR1SMOIRAK4
SCHEMBL13634631 0.92 GPR6 (0.40) PIM1GPR6SMOIRAK4GRM4
SCHEMBL13634630 0.92 GPR6 (0.40) PIM1GPR6SMOIRAK4GRM4
SCHEMBL13634625 0.88 MEN1 (0.40) PIM1GPR6IRAK4GRM4
SCHEMBL13634544 0.88 MEN1 (0.40) PIM1GPR6IRAK4GRM4
SCHEMBL13634770 0.87 PIM1 (0.36) PIM1GPR6IRAK4
SCHEMBL13634505 0.86 PIM1 (0.35) PIM1GPR6TGFBR1IRAK4
SCHEMBL13634504 0.86 PIM1 (0.37) PIM1GPR6IRAK4
SCHEMBL13634796 0.86 GPR6 (0.37) PIM1GPR6TGFBR1PDE10AIRAK4

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