SCHEMBL29762501

SCHEMBL29762501

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ SUV39H2 Q9H5I1 5/20 0.40
▸ AKT1 P31749 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KIF18A Q8NI77 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL23299990 1.00 GAA (0.41) GAASUV39H2AKT1MAPTCYP1A2
SCHEMBL23275378 1.00 GAA (0.41) GAASUV39H2AKT1MAPTCYP1A2
SCHEMBL23275320 0.84 MAPT (0.40) AKT1MAPTCYP1A2CYP2D6RAF1
SCHEMBL23275324 0.84 MAPT (0.40) AKT1MAPTCYP1A2CYP2D6RAF1
SCHEMBL29900790 0.83 JAK3 (0.40) GAASUV39H2AKT1MAPTCYP1A2
SCHEMBL23275253 0.83 JAK3 (0.40) GAASUV39H2AKT1MAPTCYP1A2
SCHEMBL23299989 0.83 JAK3 (0.40) GAASUV39H2AKT1MAPTCYP1A2
SCHEMBL28830319 0.79 CYP1A2 (0.39) GAAAKT1MAPTCYP1A2CYP2D6
SCHEMBL28830320 0.78 SLC6A3 (0.35) SUV39H2
SCHEMBL23274606 0.75 RAF1 (0.46) AKT1MAPTCYP1A2CYP2D6RAF1

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
EP-4048259-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-08-31 — — EP disclosed
CN-114845711-A Inhibitors of RAF kinase 金耐特生物制药公司 2022-08-02 — — CN disclosed
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