SCHEMBL24496140

SCHEMBL24496140

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cn3)c(-c3cc(C#N)ccn3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 3/20 0.38
▸ BMP1 P13497 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ SCN9A Q15858 3/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ MMP1 P03956 3/20 0.35
▸ MMP9 P14780 3/20 0.35
▸ MMP13 P45452 3/20 0.35
▸ CCR9 P51686 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ CNR2 P34972 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
SCHEMBL29648328 0.90 CCR6 (0.38) CCR6BMP1TRPV1SCN9ACNR1
SCHEMBL24496286 0.90 CCR6 (0.38) CCR6BMP1TRPV1SCN9ACNR1
SCHEMBL22718255 0.87 MMP1 (0.40) CCR6BMP1MDM2MMP1MMP9
SCHEMBL29438883 0.87 MMP1 (0.40) CCR6BMP1MDM2MMP1MMP9
SCHEMBL24496004 0.86 BMP1 (0.39) CCR6BMP1MDM2MMP1MMP9
SCHEMBL24496141 0.85 CCR6 (0.39) CCR6BMP1SCN9AMDM2MMP1
SCHEMBL29438915 0.83 TEAD1 (0.49) CCR6BMP1MDM2MMP1MMP9
SCHEMBL22718251 0.83 TEAD1 (0.49) CCR6BMP1MDM2MMP1MMP9
SCHEMBL29438917 0.83 TEAD1 (0.49) CCR6BMP1MDM2MMP1MMP9
SCHEMBL22718139 0.81 CCR6 (0.40) CCR6BMP1MDM2MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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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