SCHEMBL29829596

SCHEMBL29829596

COc1nc(OC)c(NS(=O)(=O)c2c[nH]c3nc(C(F)F)ccc23)cc1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.36
PIK3CA P42336 12/20 0.35
MTOR P42345 3/20 0.35
PIK3R1 P27986 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SGK1 O00141 2/20 0.34
CYP3A4 P08684 2/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL21596703 1.00 CYP2C9 (0.36) CYP2C9PIK3CAMTORPIK3R1ALDH1A1
SCHEMBL29829446 0.94 PIK3CA (0.38) CYP2C9PIK3CAMTORPIK3R1ALDH1A1
SCHEMBL23610291 0.94 PIK3CA (0.38) CYP2C9PIK3CAMTORPIK3R1ALDH1A1
SCHEMBL21596662 0.92 CYP2C9 (0.34) CYP2C9PIK3CAMTORPIK3R1CYP3A4
SCHEMBL29829592 0.92 CYP2C9 (0.34) CYP2C9PIK3CAMTORPIK3R1CYP3A4
SCHEMBL21596654 0.91 PIK3CA (0.35) CYP2C9PIK3CAMTORPIK3R1SGK1
SCHEMBL29829425 0.91 PIK3CA (0.35) CYP2C9PIK3CAMTORPIK3R1SGK1
SCHEMBL21596686 0.91 PIK3CA (0.34) CYP2C9PIK3CAMTORPIK3R1
SCHEMBL29829623 0.91 PIK3CA (0.34) CYP2C9PIK3CAMTORPIK3R1
SCHEMBL23610288 0.89 PIK3CA (0.34) CYP2C9PIK3CAMTORPIK3R1SGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112469710-B Pyridyl and pyrazinyl- (aza) indole sulfonamides 优时比制药有限公司 2024-05-14 CN claimed
EP-3810591-B1 PYRIDINYL AND PYRAZINYL-(AZA)INDOLSULFONAMIDES UCB PHARMA GMBH (DE) 2022-08-10 EP claimed
CN-112469710-B Pyridyl and pyrazinyl- (aza) indole sulfonamides 优时比制药有限公司 2024-05-14 CN disclosed