SCHEMBL29829751

SCHEMBL29829751

COc1nc(OCCF)c(F)cc1NS(=O)(=O)c1c[nH]c2nc(Cl)ccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K20 Q9NYL2 2/20 0.36
CCR4 P51679 2/20 0.36
PIK3CA P42336 9/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
EIF2AK4 Q9P2K8 2/20 0.36
CYP3A4 P08684 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
CYP2C9 P11712 2/20 0.35
LRRK2 Q5S007 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3R1 P27986 2/20 0.34
MTOR P42345 1/20 0.34
HDAC1 Q13547 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
SGK1 O00141 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
SCHEMBL21596706 1.00 MAP3K20 (0.36) MAP3K20CCR4PIK3CAPIK3CDPIK3CB
SCHEMBL29829626 0.92 CCR4 (0.39) MAP3K20CCR4PIK3CAPIK3CDPIK3CB
SCHEMBL21596660 0.92 CCR4 (0.39) MAP3K20CCR4PIK3CAPIK3CDPIK3CB
SCHEMBL21596695 0.90 MAP3K20 (0.35) MAP3K20CCR4PIK3CAPIK3CDPIK3CB
SCHEMBL29829276 0.90 MAP3K20 (0.35) MAP3K20CCR4PIK3CAPIK3CDPIK3CB
SCHEMBL21596669 0.88 CCR4 (0.36) MAP3K20CCR4PIK3CAPIK3CDPIK3CB
SCHEMBL30684744 0.88 CCR4 (0.36) MAP3K20CCR4PIK3CAPIK3CDPIK3CB
SCHEMBL21596708 0.88 CCR4 (0.37) MAP3K20CCR4PIK3CAPIK3CDPIK3CB
SCHEMBL21596686 0.88 PIK3CA (0.34) MAP3K20PIK3CACYP2C9PIK3R1MTOR
SCHEMBL29829623 0.88 PIK3CA (0.34) MAP3K20PIK3CACYP2C9PIK3R1MTOR

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