SCHEMBL24137238

SCHEMBL24137238

COc1ncc(C(C)C)cc1NS(=O)(=O)c1cccc(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 4/20 0.45
▸ PIK3CA P42336 7/20 0.42
▸ MTOR P42345 4/20 0.42
▸ PTGES2 Q9H7Z7 6/20 0.42
▸ PIK3CD O00329 3/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ PIK3R1 P27986 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ CCR4 P51679 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ MAP3K20 Q9NYL2 1/20 0.41
▸ PI4KA P42356 2/20 0.39

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
SCHEMBL13976075 0.83 ACLY (0.53) PIK3CGPIK3CAMTOR
SCHEMBL13975447 0.83 SLC40A1 (0.55) PIK3CGPIK3CAMTOR
SCHEMBL24139918 0.79 TSHR (0.48) PIK3CGPIK3CAMTORCCR4
SCHEMBL13975944 0.76 CCR2 (0.52) PIK3CACCR4
SCHEMBL24139747 0.76 CYP2C9 (0.48) PIK3CGPIK3CAMTORCCR4BRAF
SCHEMBL24140017 0.76 LMNA (0.51) PIK3CACCR4
SCHEMBL19558829 0.75 ACLY (0.51) PIK3CGPIK3CAMTOR
SCHEMBL24139709 0.74 WDR5 (0.43) PIK3CGPIK3CAMTORCCR4
SCHEMBL24139986 0.74 KDM4E (0.48) —
SCHEMBL19286558 0.74 PIK3CD (0.53) PIK3CGPIK3CAPIK3CDPIK3CB

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-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 — — EP disclosed
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