SCHEMBL9756677

SCHEMBL9756677

Cc1ccc(C(=O)Oc2c(N3CCCC3)nc(N3CCCC3)nc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GBA1 P04062 7/20 0.46
GPR119 Q8TDV5 3/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
ACHE P22303 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL9756680 0.91 MEN1 (0.55) KMT2AMEN1SMN1; SMN2GBA1GPR119
SCHEMBL9756638 0.91 GBA1 (0.49) KMT2AMEN1GBA1GPR119ADORA2A
SCHEMBL9756685 0.90 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2GBA1GPR119
4-Methylbenzoic Acid SCHEMBL9671138 0.84 GBA1 (0.48) KMT2AMEN1CYP2C19SMN1; SMN2GBA1
SCHEMBL9756679 0.84 GBA1 (0.55) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL9668922 0.82 GPR119 (0.43) GBA1GPR119ADORA2AADORA1CKS1B
SCHEMBL9756696 0.78 GPR119 (0.45) GBA1GPR119ADORA2AADORA1CKS1B
SCHEMBL9669962 0.74 KMT5A (0.41) GBA1GPR119ADORA2AADORA1CKS1B
SCHEMBL15921897 0.74 CKS1B (0.55) KMT2AMEN1SMN1; SMN2GPR119ADORA2A
SCHEMBL9756698 0.74 GPR119 (0.43) GBA1GPR119ADORA2AADORA1CKS1B

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 claimed