SCHEMBL20042708

SCHEMBL20042708

CC(C)(C)OC(=O)N1Cc2nc(C(=O)O)nc(N3CCC3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.46
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ADORA1 P30542 1/20 0.37
MAPT P10636 1/20 0.35
GBA1 P04062 2/20 0.35
PDE10A Q9Y233 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KIT P10721 1/20 0.34
C5AR1 P21730 1/20 0.34

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
SCHEMBL20042712 0.88 MTOR (0.47) MTORCKS1BSKP1SKP2PARP1
SCHEMBL20042972 0.85 MTOR (0.47) MTORCKS1BSKP1SKP2PARP1
SCHEMBL20042670 0.85 MTOR (0.47) MTORCKS1BSKP1SKP2PARP1
SCHEMBL31614795 0.85 MTOR (0.47) MTORCKS1BSKP1SKP2PARP1
SCHEMBL31516224 0.84 MTOR (0.46) MTORCKS1BSKP1SKP2PARP1
SCHEMBL20042815 0.84 MTOR (0.46) MTORCKS1BSKP1SKP2PARP1
SCHEMBL31614769 0.82 MTOR (0.49) MTORCKS1BSKP1SKP2PARP1
SCHEMBL20042672 0.82 MTOR (0.49) MTORCKS1BSKP1SKP2PARP1
SCHEMBL20042808 0.82 MTOR (0.47) MTORCKS1BSKP1SKP2PARP1
SCHEMBL19358163 0.82 MTOR (0.46) 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