SCHEMBL30718265

SCHEMBL30718265

COc1cc(-c2cnc3ccccc3c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
TLR9 Q9NR96 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
PTPN11 Q06124 1/20 0.44
SLC2A1 P11166 1/20 0.44
PIK3CA P42336 5/20 0.44
PIK3R1 P27986 1/20 0.44
GBA1 P04062 1/20 0.44
GPR119 Q8TDV5 4/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
MTOR P42345 1/20 0.42

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
SCHEMBL27029490 1.00 CKS1B (0.47) CKS1BSKP1SKP2TLR9TLR7
SCHEMBL27029476 0.89 NPC1 (0.51) CKS1BSKP1SKP2TLR9TLR7
SCHEMBL30718222 0.89 NPC1 (0.51) CKS1BSKP1SKP2TLR9TLR7
SCHEMBL29931606 0.88 NPC1 (0.45) PIK3CAMTOR
SCHEMBL27029473 0.86 SMN1; SMN2 (0.52) CKS1BSKP1SKP2PTPN11PIK3CA
SCHEMBL29932036 0.86 SMN1; SMN2 (0.52) CKS1BSKP1SKP2PTPN11PIK3CA
SCHEMBL30718262 0.86 SMN1; SMN2 (0.52) CKS1BSKP1SKP2PTPN11PIK3CA
SCHEMBL27029442 0.86 ACHE (0.55) CKS1BSKP1SKP2PTPN11PIK3CA
SCHEMBL30718211 0.86 ACHE (0.55) CKS1BSKP1SKP2PTPN11PIK3CA
SCHEMBL30718220 0.85 GPR119 (0.51) CKS1BSKP1SKP2PTPN11PIK3CA

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
CN-117157284-A CTLA-4 small molecule degradation agent and application thereof 苏州国匡医药科技有限公司 2023-12-01 CN disclosed