SCHEMBL30718218

SCHEMBL30718218

CC(C)(C)OC(=O)N1C=CN(c2nccc(-c3cnc4ccccc4c3)n2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.41
SLC22A12 Q96S37 1/20 0.38
MAP4K4 O95819 1/20 0.38
CSNK1G2 P78368 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
ABL1 P00519 1/20 0.36
PIK3CA P42336 6/20 0.36
MTOR P42345 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CYP2A6 P11509 1/20 0.34
CA12 O43570 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
SCHEMBL29115840 1.00 MAPKAPK2 (0.41) MAPKAPK2SLC22A12MAP4K4CSNK1G2CLK4
SCHEMBL30718176 1.00 MAPKAPK2 (0.41) MAPKAPK2SLC22A12MAP4K4CSNK1G2CLK4
SCHEMBL27029442 0.81 ACHE (0.55) PIK3CAACHE
SCHEMBL30718211 0.81 ACHE (0.55) PIK3CAACHE
SCHEMBL27029459 0.78 GPR119 (0.44) HDAC8PIK3CAMTOR
SCHEMBL30718161 0.78 GPR119 (0.44) HDAC8PIK3CAMTOR
SCHEMBL1857851 0.74 PIK3CA (0.42) MAPKAPK2SLC22A12MAP4K4CSNK1G2CLK4
SCHEMBL29115939 0.71 BCHE (0.48) HDAC8
SCHEMBL29931621 0.71 BCHE (0.48) HDAC8
SCHEMBL27029490 0.69 CKS1B (0.47) PIK3CAMTORACHE

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