SCHEMBL20042723

SCHEMBL20042723

CC1c2c(O)nc(C3CC3)nc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GPR119 Q8TDV5 1/20 0.31
MAP4K4 O95819 1/20 0.31
SCN4A P35499 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
PARP1 P09874 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 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 0.85 MEN1 (0.37) MEN1KMT2AALDH1A1MAP4K4SCN4A
SCHEMBL20042845 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1GPR119MAP4K4
SCHEMBL20042828 0.83 CHRM3 (0.40) PDE8BALDH1A1CHRM3
SCHEMBL20042717 0.81 MEN1 (0.36) MEN1KMT2AALDH1A1MAP4K4TSHR
SCHEMBL20042678 0.75 DDB1 (0.39) PDE8BGPR119DDB1CRBNPARP1
SCHEMBL20042859 0.72 MEN1 (0.35) MEN1KMT2AALDH1A1GPR119MAP4K4
SCHEMBL21847945 0.72 MEN1 (0.40) MEN1KMT2AALDH1A1GPR119MAP4K4
SCHEMBL27270487 0.71 MEN1 (0.34) MEN1KMT2AALDH1A1MAP4K4TSHR
SCHEMBL20042838 0.69 PDE10A (0.35) MEN1KMT2AALDH1A1GPR119MAP4K4
SCHEMBL31615020 0.69 PDE10A (0.35) MEN1KMT2AALDH1A1GPR119MAP4K4

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 1 patent. 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