SCHEMBL29610307

SCHEMBL29610307

COc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.59
MTOR P42345 12/20 0.59
PIK3R1 P27986 4/20 0.59
PIK3CG P48736 3/20 0.56
PIK3CD O00329 2/20 0.56
PIK3CB P42338 2/20 0.56
PI4KA P42356 1/20 0.56

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
SCHEMBL462714 1.00 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL30333881 1.00 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL22447698 0.89 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL30902253 0.88 PIK3CA (0.55) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL742722 0.88 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL15555632 0.87 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CGPI4KA
SCHEMBL16683557 0.87 PIK3CA (0.63) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL30902213 0.87 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CGPI4KA
SCHEMBL30333513 0.86 PI4KA (0.46) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL9953017 0.86 PI4KA (0.53) PIK3CAMTORPIK3R1PIK3CGPI4KA

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-113135913-B 3-substituent-6-pyridine substituent-six-membered and five-membered heterocyclic derivative and preparation method and application thereof 沈阳药科大学 2022-05-24 CN disclosed