SCHEMBL28830338

SCHEMBL28830338

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIK3CA P42336 5/20 0.37
▸ AKT1 P31749 4/20 0.37
▸ MTOR P42345 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ BRAF P15056 2/20 0.36
▸ PIK3CB P42338 5/20 0.36
▸ PIK3CD O00329 3/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL28830325 0.84 RAF1 (0.38) MAPTCYP1A2CYP2D6POLBMEN1
SCHEMBL28830297 0.81 CYP1A2 (0.43) MAPTCYP1A2CYP2D6POLBMEN1
SCHEMBL29762410 0.81 RAF1 (0.47) MAPTCYP1A2CYP2D6POLBMEN1
SCHEMBL23274738 0.81 RAF1 (0.47) MAPTCYP1A2CYP2D6POLBMEN1
SCHEMBL23274711 0.77 TP53 (0.42) MAPTCYP1A2CYP2D6POLBMEN1
SCHEMBL23274715 0.77 TP53 (0.42) MAPTCYP1A2CYP2D6POLBMEN1
SCHEMBL28830342 0.75 SLC6A3 (0.35) —
SCHEMBL23299989 0.75 JAK3 (0.40) MAPTCYP1A2CYP2D6PIK3CAAKT1
SCHEMBL23275253 0.75 JAK3 (0.40) MAPTCYP1A2CYP2D6PIK3CAAKT1
SCHEMBL29900790 0.75 JAK3 (0.40) MAPTCYP1A2CYP2D6PIK3CAAKT1

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-114845711-A Inhibitors of RAF kinase 金耐特生物制药公司 2022-08-02 — — CN disclosed
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