SCHEMBL20042676

SCHEMBL20042676

CN(C)c1nc(C2CC2)nc2c1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.38
CRBN Q96SW2 3/20 0.38
PDE8B O95263 1/20 0.36
HPGD P15428 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
MTOR P42345 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
MAPT P10636 2/20 0.34
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
C5AR1 P21730 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR9 Q9NR96 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
SCHEMBL20042678 0.84 DDB1 (0.39) DDB1CRBNPDE8BHPGDPARP1
SCHEMBL2810029 0.81 MEN1 (0.36) DDB1CRBNHPGDPDE10APARP1
SCHEMBL20042761 0.81 MTOR (0.44) DDB1CRBNPDE8BHPGDPDE10A
SCHEMBL31246439 0.79 PARP1 (0.41) DDB1CRBNPDE10APARP1TNKS2
SCHEMBL16033726 0.75 PARP1 (0.44) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL2806666 0.75 MKNK1 (0.46) DDB1CRBNPDE10APARP1TNKS2
SCHEMBL20042974 0.75 MTOR (0.49) PDE10AMTORGPR119
SCHEMBL29899535 0.74 PARP1 (0.43) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL1262069 0.74 DPP4 (0.45) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL22344925 0.74 GPR119 (0.35) DDB1CRBNHPGDPDE10AGPR119

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