SCHEMBL28790502

SCHEMBL28790502

CC(C)(C)OC(=O)N1CCN(c2nc(N3CCN(c4ccccn4)CC3)nc(C3CNCCO3)c2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.49
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
PDE10A Q9Y233 1/20 0.39
ACHE P22303 2/20 0.39
LMNA P02545 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27825610 0.88 TP53 (0.45) GPR119ACHELMNATLR9TLR7
SCHEMBL27805021 0.85 HPGD (0.39) KDM4EHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL27805098 0.84 PLD1 (0.47) KDM4EHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL28786866 0.83 DDB1 (0.39) GPR119HTTACHELMNATLR9
SCHEMBL27825615 0.83 DDB1 (0.39) GPR119HTTACHELMNATLR9
SCHEMBL1123719 0.82 GPR119 (0.56) GPR119CKS1BSKP1SKP2KDM4E
SCHEMBL27804993 0.77 PLD1 (0.39) KDM4EHTTACHELMNAALDH1A1
SCHEMBL30516861 0.74 GPR119 (0.79) GPR119CKS1BSKP1SKP2KDM4E
SCHEMBL1459701 0.74 GPR119 (0.79) GPR119CKS1BSKP1SKP2KDM4E
SCHEMBL27804976 0.73 MAPT (0.39) ALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 CN claimed
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 CN disclosed