SCHEMBL20042678

SCHEMBL20042678

CC(C)(C)OC(=O)N1Cc2nc(C3CC3)nc(O)c2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
GPR119 Q8TDV5 5/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MTOR P42345 1/20 0.36
PDE8B O95263 1/20 0.35
C5AR1 P21730 1/20 0.35
HPGD P15428 1/20 0.35
ESR2 Q92731 1/20 0.34
NAMPT P43490 1/20 0.33

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
SCHEMBL20042676 0.84 DDB1 (0.38) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL20042761 0.82 MTOR (0.44) DDB1CRBNGPR119MTORPDE8B
SCHEMBL34470947 0.82 MTOR (0.43) PARP1TNKS2PARP2MAPTMTOR
SCHEMBL31016562 0.81 C5AR1 (0.39) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL20042662 0.81 C5AR1 (0.39) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL31016608 0.79 PARP1 (0.37) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL28653892 0.78 PARP1 (0.44) PARP1GPR119NAMPT
SCHEMBL16033726 0.78 PARP1 (0.44) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL31615021 0.78 MTOR (0.40) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL20042758 0.78 MTOR (0.40) DDB1CRBNPARP1TNKS2PARP2

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