SCHEMBL28650412

SCHEMBL28650412

CC(C)(NC(=O)c1cccc(C#N)c1)c1cn(CCOS(C)(=O)=O)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 1/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ PRKX P51817 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ MELK Q14680 1/20 0.38
▸ MINK1 Q8N4C8 1/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL28668104 0.87 GLS (0.43) GLSGSK3BCDC7DAPK3ROCK2
SCHEMBL28650916 0.83 GAA (0.38) GSK3BCDC7DAPK3PAK4CDK2
SCHEMBL30271518 0.83 GLS (0.38) GLSGSK3BCDC7DAPK3ROCK2
SCHEMBL28664307 0.82 HPGD (0.38) ALDH1A1CNR1
SCHEMBL28654355 0.81 PTGS2 (0.33) CTSLCTSS
SCHEMBL28649850 0.81 KCNH2 (0.35) CTSLCTSS
SCHEMBL28654148 0.79 BCAT1 (0.42) GLSGSK3BCLK2DYRK1A
SCHEMBL28929387 0.78 TAS2R8 (0.38) GSK3BDYRK1ATAS2R8GAAALDH1A1
SCHEMBL28670333 0.71 MMP2 (0.42) ALDH1A1CTSLCTSS
SCHEMBL28673180 0.68 KDM4E (0.42) GAAALDH1A1TDP1

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-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 — — CN disclosed
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