SCHEMBL9756698

SCHEMBL9756698

CC(C)(C)OC(=O)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)c2OOS(=O)(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.43
PTPN11 Q06124 1/20 0.40
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
KMT5A Q9NQR1 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CHRNA7 P36544 1/20 0.39
ACHE P22303 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 1/20 0.39
GBA1 P04062 1/20 0.38
PDE10A Q9Y233 1/20 0.38
STS P08842 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
SCHEMBL9756696 0.82 GPR119 (0.45) GPR119PTPN11CKS1BSKP1SKP2
SCHEMBL9668922 0.81 GPR119 (0.43) GPR119PTPN11CKS1BSKP1SKP2
SCHEMBL15921897 0.77 CKS1B (0.55) GPR119PTPN11CKS1BSKP1SKP2
SCHEMBL10297496 0.77 GPR119 (0.55) GPR119PTPN11CKS1BSKP1SKP2
SCHEMBL9756638 0.75 GBA1 (0.49) GPR119PTPN11CKS1BSKP1SKP2
SCHEMBL9669980 0.74 GBA1 (0.56) GPR119CKS1BSKP1SKP2GBA1
SCHEMBL15921394 0.74 MEN1 (0.54) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL9756677 0.74 KMT2A (0.47) GPR119CKS1BSKP1SKP2TLR9
SCHEMBL9669962 0.73 KMT5A (0.41) GPR119PTPN11CKS1BSKP1SKP2
SCHEMBL9756680 0.73 MEN1 (0.55) GPR119CKS1BSKP1SKP2TLR9

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-1991011453-A2 5-OXYGENATED-2,4,6-TRIAMINOPYRIMIDINES THE UPJOHN COMPANY (US) 1991-08-08 WO disclosed