SCHEMBL28889073

SCHEMBL28889073

CC(C)(C)OC(=O)Nc1nc(CC(=O)O)c(-c2ccc(F)c(Cl)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.46
LCK P06239 8/20 0.42
ABL1 P00519 1/20 0.41
PIK3CD O00329 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CB P42338 3/20 0.40
PIK3CG P48736 3/20 0.40
PI4KB Q9UBF8 2/20 0.38
RORC P51449 1/20 0.37
EGFR P00533 1/20 0.37
AURKB Q96GD4 1/20 0.37
BRAF P15056 1/20 0.36

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
SCHEMBL28889083 0.84 GCK (0.45) GCKLCKPI4KB
SCHEMBL28889072 0.82 ALDH1A1 (0.46) LCKPI4KB
SCHEMBL29092934 0.82 LCK (0.47) LCKPI4KB
SCHEMBL31311335 0.81 ALDH1A1 (0.48) LCKABL1
SCHEMBL31311210 0.79 LCK (0.45) LCKABL1BRAF
SCHEMBL31311367 0.76 PLTP (0.48) LCKABL1RORC
SCHEMBL31311187 0.76 LCK (0.48) LCKABL1
SCHEMBL29556655 0.76 GCK (0.52) GCKLCKPI4KB
SCHEMBL29093073 0.75 KDM4E (0.44) ABL1
SCHEMBL31311370 0.75 ABL1 (0.71) ABL1

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-115215817-B 2-aminothiazole-4-acetic acid derivative and preparation method and application thereof 武汉工程大学 2023-09-19 CN disclosed
CN-115215817-A 2-aminothiazole-4-acetic acid derivative and preparation method and application thereof 武汉工程大学 2022-10-21 CN disclosed