SCHEMBL20042717

SCHEMBL20042717

CCc1nc(O)c2c(n1)CN(C(=O)OC(C)(C)C)C2C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MAP4K4 O95819 1/20 0.31
PIK3CD O00329 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
PARP1 P09874 2/20 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) MEN1KMT2AALDH1A1L3MBTL1MAP4K4
SCHEMBL20042845 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1L3MBTL1MAP4K4
SCHEMBL20042916 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1L3MBTL1MAP4K4
SCHEMBL20042723 0.81 PDE8B (0.38) MEN1KMT2AALDH1A1L3MBTL1MAP4K4
SCHEMBL31615021 0.73 MTOR (0.40) PARP1
SCHEMBL20042758 0.73 MTOR (0.40) PARP1
SCHEMBL20042908 0.73 MEN1 (0.39) MEN1KMT2AALDH1A1L3MBTL1PIK3CD
SCHEMBL20042859 0.72 MEN1 (0.35) MEN1KMT2AALDH1A1L3MBTL1MAP4K4
SCHEMBL21847945 0.72 MEN1 (0.40) MEN1KMT2AALDH1A1L3MBTL1MAP4K4
SCHEMBL27270487 0.71 MEN1 (0.34) MEN1KMT2AALDH1A1MAP4K4LMNA

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