SCHEMBL24496286

SCHEMBL24496286

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ccc(C(F)(F)F)cn3)c(-c3ccc(C#N)cn3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 6/20 0.38
▸ BMP1 P13497 1/20 0.38
▸ SCN9A Q15858 3/20 0.37
▸ MDM2 Q00987 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MMP1 P03956 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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 1.00 CCR6 (0.38) CCR6BMP1SCN9AMDM2TRPV1
SCHEMBL24496140 0.90 CCR6 (0.38) CCR6BMP1SCN9AMDM2TRPV1
SCHEMBL22718255 0.86 MMP1 (0.40) CCR6BMP1MDM2MMP1MMP9
SCHEMBL29438883 0.86 MMP1 (0.40) CCR6BMP1MDM2MMP1MMP9
SCHEMBL24496262 0.86 BMP1 (0.39) CCR6BMP1MDM2MMP1MMP9
SCHEMBL29648296 0.86 BMP1 (0.39) CCR6BMP1MDM2MMP1MMP9
SCHEMBL24496141 0.85 CCR6 (0.39) CCR6BMP1SCN9AMDM2MMP1
SCHEMBL22718276 0.84 CCR6 (0.41) CCR6SCN9AMEN1KMT2A
SCHEMBL22718251 0.84 TEAD1 (0.49) CCR6BMP1MDM2MMP1MMP9
SCHEMBL29438917 0.84 TEAD1 (0.49) 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 3 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
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