SCHEMBL20042672

SCHEMBL20042672

CCc1nc2c(c(N3CCC3)n1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.49
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MAPT P10636 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
C5AR1 P21730 1/20 0.34
CTSK P43235 1/20 0.33
ADORA1 P30542 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL31614769 1.00 MTOR (0.49) MTORCKS1BSKP1SKP2MEN1
SCHEMBL20042808 0.91 MTOR (0.47) MTORCKS1BSKP1SKP2MEN1
SCHEMBL20042818 0.89 MTOR (0.46) MTORCKS1BSKP1SKP2MEN1
SCHEMBL31614795 0.84 MTOR (0.47) MTORCKS1BSKP1SKP2MEN1
SCHEMBL20042972 0.84 MTOR (0.47) MTORCKS1BSKP1SKP2PARP1
SCHEMBL20042670 0.84 MTOR (0.47) MTORCKS1BSKP1SKP2MEN1
SCHEMBL31516224 0.83 MTOR (0.46) MTORCKS1BSKP1SKP2MEN1
SCHEMBL20042815 0.83 MTOR (0.46) MTORCKS1BSKP1SKP2MEN1
SCHEMBL20042708 0.82 MTOR (0.46) MTORCKS1BSKP1SKP2MEN1
SCHEMBL20042758 0.82 MTOR (0.40) MTORCKS1BSKP1SKP2PARP1

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