SCHEMBL13634774

SCHEMBL13634774

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN[C@@H]4CCOC4)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
PIM1 P11309 2/20 0.34
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
METTL3 Q86U44 1/20 0.33
GPR6 P46095 1/20 0.33
KMT2A Q03164 1/20 0.33
GUCY1B2 O75343 3/20 0.32
GUCY1A2 P33402 3/20 0.32
GUCY1A1 Q02108 3/20 0.32
GUCY1B1 Q02153 3/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL13634877 1.00 PDCD1 (0.35) PDCD1CD274PIM1SCDSCD5
SCHEMBL13638780 0.93 PDCD1 (0.36) PDCD1CD274SCDSCD5METTL3
SCHEMBL13634925 0.93 PDCD1 (0.36) PDCD1CD274SCDSCD5METTL3
SCHEMBL13634767 0.88 SCD (0.37) PIM1SCDSCD5GPR6CNR2
SCHEMBL13634852 0.87 HDAC1 (0.36) PIM1SCDSCD5KMT2AIRAK4
SCHEMBL13634647 0.87 HDAC1 (0.36) PIM1SCDSCD5KMT2AIRAK4
SCHEMBL13270650 0.87 MAPT (0.39) SCDSCD5KMT2AIRAK4
SCHEMBL13634847 0.86 IRAK4 (0.37) SCDSCD5KMT2AIRAK4
SCHEMBL13634846 0.86 IRAK4 (0.37) SCDSCD5KMT2AIRAK4
SCHEMBL13634927 0.86 CNR2 (0.36) PIM1SCDSCD5GPR6CNR2

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