SCHEMBL790736

SCHEMBL790736

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N(C)S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.47
PI4KA P42356 1/20 0.47
ALPL P05186 1/20 0.46
PIK3CA P42336 15/20 0.35
PIK3R1 P27986 3/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
MTOR P42345 8/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34

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
SCHEMBL29556045 1.00 PIK3CG (0.47) PIK3CGPI4KAALPLPIK3CAPIK3R1
SCHEMBL786640 0.80 PIK3CG (0.52) PIK3CGPI4KAPIK3CAPIK3R1PIK3CD
SCHEMBL29434933 0.79 ALPL (0.55) PIK3CGPI4KAALPLPIK3CAPIK3R1
SCHEMBL110313 0.79 ALPL (0.55) PIK3CGPI4KAALPLPIK3CAPIK3R1
SCHEMBL29556110 0.79 ALPL (0.55) PIK3CGPI4KAALPLPIK3CAPIK3R1
SCHEMBL807202 0.77 ALPL (0.49) PIK3CGPI4KAALPLPIK3CAPIK3R1
SCHEMBL24576804 0.77 ALPL (0.47) ALPLAAK1
SCHEMBL9953720 0.76 ALPL (0.62) PIK3CGPI4KAALPLPIK3CAPIK3R1
SCHEMBL798868 0.75 ALPL (0.45) ALPLAAK1
SCHEMBL9960814 0.75 ALPL (0.58) ALPLAAK1LPLLIPG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724134-B Azaindazole bipyridine derivative myeloid cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2022-04-01 CN disclosed
CN-113214247-A Azaindole derivative marrow cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2021-08-06 CN disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed