SCHEMBL20042712

SCHEMBL20042712

COC(=O)c1nc2c(c(N3CCC3)n1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.47
NR1H2 P55055 1/20 0.39
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
TLR9 Q9NR96 1/20 0.36
MAPT P10636 3/20 0.34
PDE10A Q9Y233 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL20042708 0.88 MTOR (0.46) MTORPARP1TNKS2PARP2CKS1B
SCHEMBL20042972 0.83 MTOR (0.47) MTORPARP1TNKS2PARP2CKS1B
SCHEMBL31614795 0.83 MTOR (0.47) MTORPARP1TNKS2PARP2CKS1B
SCHEMBL20042670 0.83 MTOR (0.47) MTORPARP1TNKS2PARP2CKS1B
SCHEMBL31516224 0.82 MTOR (0.46) MTORPARP1TNKS2PARP2CKS1B
SCHEMBL20042815 0.82 MTOR (0.46) MTORPARP1TNKS2PARP2CKS1B
SCHEMBL31516232 0.82 MTOR (0.47) MTORPARP1TNKS2PARP2CKS1B
SCHEMBL23441624 0.81 NR1H2 (0.39) MTORNR1H2PARP1TNKS2PARP2
SCHEMBL20042818 0.81 MTOR (0.46) MTORPARP1TNKS2PARP2CKS1B
SCHEMBL20042672 0.81 MTOR (0.49) MTORPARP1TNKS2PARP2CKS1B

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