SCHEMBL29830176

SCHEMBL29830176

COc1nc(OCCOC(F)F)c(F)cc1NS(=O)(=O)c1c[nH]c2nc(C(F)F)ccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.34
PIK3R1 P27986 3/20 0.34
CYP2C9 P11712 3/20 0.33
MTOR P42345 5/20 0.33
MAP3K20 Q9NYL2 2/20 0.32
CYP3A4 P08684 2/20 0.32
SGK1 O00141 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL23610288 1.00 PIK3CA (0.34) PIK3CAPIK3R1CYP2C9MTORMAP3K20
SCHEMBL29829623 0.91 PIK3CA (0.34) PIK3CAPIK3R1CYP2C9MTORMAP3K20
SCHEMBL21596686 0.91 PIK3CA (0.34) PIK3CAPIK3R1CYP2C9MTORMAP3K20
SCHEMBL21596695 0.90 MAP3K20 (0.35) PIK3CAPIK3R1CYP2C9MTORMAP3K20
SCHEMBL29829276 0.90 MAP3K20 (0.35) PIK3CAPIK3R1CYP2C9MTORMAP3K20
SCHEMBL21596703 0.89 CYP2C9 (0.36) PIK3CAPIK3R1CYP2C9MTORCYP3A4
SCHEMBL29829596 0.89 CYP2C9 (0.36) PIK3CAPIK3R1CYP2C9MTORCYP3A4
SCHEMBL21596662 0.89 CYP2C9 (0.34) PIK3CAPIK3R1CYP2C9MTORCYP3A4
SCHEMBL29829592 0.89 CYP2C9 (0.34) PIK3CAPIK3R1CYP2C9MTORCYP3A4
SCHEMBL23610291 0.88 PIK3CA (0.38) PIK3CAPIK3R1CYP2C9MTORCYP3A4

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