SCHEMBL20042845

SCHEMBL20042845

Cc1nc(O)c2c(n1)CN(C(=O)OC(C)(C)C)C2C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K4 O95819 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PTPN1 P18031 1/20 0.32
SCN4A P35499 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PARP1 P09874 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN3A Q9NY46 1/20 0.31
MAPK1 P28482 1/20 0.31
PIK3CD O00329 1/20 0.31
NPC1 O15118 1/20 0.31
ACACB O00763 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL27270438 0.88 MEN1 (0.37) MEN1KMT2AMAP4K4SCN4AL3MBTL1
SCHEMBL20042859 0.86 MEN1 (0.35) MEN1KMT2AMAP4K4GPR119PTPN1
SCHEMBL20042723 0.84 PDE8B (0.38) MEN1KMT2AMAP4K4GPR119SCN4A
SCHEMBL20042717 0.84 MEN1 (0.36) MEN1KMT2AMAP4K4L3MBTL1ALDH1A1
SCHEMBL20042908 0.84 MEN1 (0.39) MEN1KMT2AGPR119PTPN1SCN4A
SCHEMBL31615020 0.82 PDE10A (0.35) MEN1KMT2AMAP4K4GPR119SCN4A
SCHEMBL20042875 0.82 PDE10A (0.35) MEN1KMT2AMAP4K4GPR119SCN4A
SCHEMBL31615013 0.82 PDE10A (0.35) MEN1KMT2AMAP4K4GPR119SCN4A
SCHEMBL20042838 0.82 PDE10A (0.35) MEN1KMT2AMAP4K4GPR119SCN4A
SCHEMBL31614910 0.82 PDE10A (0.35) MEN1KMT2AMAP4K4GPR119SCN4A

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
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed