SCHEMBL29900790

SCHEMBL29900790

CC(C)(C)OC(=O)N[C@H]1CC(=O)N(c2cc(Cl)cc(N3CCOCC3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ AKT1 P31749 2/20 0.39
▸ SUV39H2 Q9H5I1 5/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ MAP4K4 O95819 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37

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
SCHEMBL23299989 1.00 JAK3 (0.40) JAK3BTKAKT1SUV39H2CKS1B
SCHEMBL23275253 1.00 JAK3 (0.40) JAK3BTKAKT1SUV39H2CKS1B
SCHEMBL23274715 0.86 TP53 (0.42) AKT1TP53RAF1BRAFCYP1A2
SCHEMBL23274711 0.86 TP53 (0.42) AKT1TP53RAF1BRAFCYP1A2
SCHEMBL29762501 0.83 GAA (0.41) JAK3BTKAKT1SUV39H2CKS1B
SCHEMBL23299990 0.83 GAA (0.41) JAK3BTKAKT1SUV39H2CKS1B
SCHEMBL23275378 0.83 GAA (0.41) JAK3BTKAKT1SUV39H2CKS1B
SCHEMBL28830325 0.80 RAF1 (0.38) AKT1RAF1BRAFGAACYP1A2
SCHEMBL29849723 0.78 EIF2AK4 (0.42) JAK3BTKSUV39H2CKS1BSKP1
SCHEMBL28830326 0.78 SLC6A3 (0.35) —

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
EP-4048259-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-08-31 — — EP disclosed
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