SCHEMBL30059552

SCHEMBL30059552

COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(Cl)n2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 1.00
DAPK1 P53355 3/20 1.00
MKNK2 Q9HBH9 3/20 1.00
BMP2K Q9NSY1 3/20 1.00
MKNK1 Q9BUB5 3/20 1.00
MYLK2 Q9H1R3 3/20 1.00
DAPK3 O43293 2/20 1.00
JAK2 O60674 2/20 1.00
HIPK4 Q8NE63 2/20 1.00
CIT O14578 2/20 1.00
MAP2K1 Q02750 1/20 1.00
PKN2 Q16513 1/20 1.00
TLK2 Q86UE8 1/20 1.00
STK39 Q9UEW8 1/20 1.00
TLK1 Q9UKI8 1/20 1.00
GAK O14976 3/20 0.83
HTR2B P41595 1/20 0.83
KCNH2 Q12809 1/20 0.83
ROCK2 O75116 2/20 0.79
TYRO3 Q06418 1/20 0.79

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
SCHEMBL17155348 1.00 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL19901200 1.00 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL17143243 0.93 AAK1 (0.86) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL30059578 0.91 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL30059562 0.91 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL17155572 0.91 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL19901194 0.91 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL17155610 0.91 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL20573929 0.88 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL21649248 0.88 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1

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-118973576-A Compounds and methods for treating spasticity 莱西肯医药有限公司 2024-11-15 CN disclosed
CN-115484951-A AAK1 inhibitors for the treatment of viral infections 莱西肯医药有限公司 2022-12-16 CN disclosed