SCHEMBL24496050

SCHEMBL24496050

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cn3)c(-c3cn(CCO)cn3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ BMP1 P13497 2/20 0.39
▸ MMP1 P03956 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ MDM2 Q00987 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ TLR1 Q15399 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ DAGLA Q9Y4D2 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ ABHD6 Q9BV23 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ JAK1 P23458 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
SCHEMBL22718251 0.90 TEAD1 (0.49) TEAD1YAP1CCR6BMP1MMP1
SCHEMBL29438915 0.90 TEAD1 (0.49) TEAD1YAP1CCR6BMP1MMP1
SCHEMBL29438917 0.90 TEAD1 (0.49) TEAD1YAP1CCR6BMP1MMP1
SCHEMBL24496141 0.90 CCR6 (0.39) TEAD1YAP1CCR6BMP1MMP1
SCHEMBL22718153 0.89 MMP1 (0.40) TEAD1YAP1CCR6BMP1MMP1
SCHEMBL22718139 0.87 CCR6 (0.40) TEAD1YAP1CCR6BMP1MMP1
SCHEMBL22718290 0.87 CCR6 (0.37) TEAD1YAP1CCR6BMP1MMP1
SCHEMBL29438945 0.87 CCR6 (0.37) TEAD1YAP1CCR6BMP1MMP1
SCHEMBL22718447 0.85 CCR6 (0.44) TEAD1YAP1CCR6BMP1MMP1
SCHEMBL22718316 0.84 CCR6 (0.43) TEAD1YAP1CCR6BMP1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117561061-A Combination of 3- (imidazol-4-yl) -4- (amino) -benzenesulfonamide TEAD inhibitors with EGFR inhibitors and/or MEK inhibitors for the treatment of lung cancer 医肯纳肿瘤学公司 2024-02-13 — — CN disclosed
EP-4281073-A1 COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER Ikena Oncology, Inc. (US) 2023-11-29 — — EP disclosed
WO-2022159986-A1 COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER Ikena Oncology, Inc. (US) 2022-07-28 — — WO disclosed
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
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