SCHEMBL24496141

SCHEMBL24496141

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 1/20 0.39
▸ TEAD1 P28347 1/20 0.38
▸ YAP1 P46937 1/20 0.38
▸ BMP1 P13497 2/20 0.37
▸ SCN9A Q15858 2/20 0.36
▸ MDM2 Q00987 1/20 0.35
▸ MMP1 P03956 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ UCHL1 P09936 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL24496050 0.90 TEAD1 (0.39) CCR6TEAD1YAP1BMP1MDM2
SCHEMBL22718153 0.89 MMP1 (0.40) CCR6TEAD1YAP1BMP1MDM2
SCHEMBL22718251 0.89 TEAD1 (0.49) CCR6TEAD1YAP1BMP1MDM2
SCHEMBL29438917 0.89 TEAD1 (0.49) CCR6TEAD1YAP1BMP1MDM2
SCHEMBL29438915 0.89 TEAD1 (0.49) CCR6TEAD1YAP1BMP1MDM2
SCHEMBL22718139 0.87 CCR6 (0.40) CCR6TEAD1YAP1BMP1MDM2
SCHEMBL22718290 0.87 CCR6 (0.37) CCR6TEAD1YAP1BMP1MDM2
SCHEMBL29438945 0.87 CCR6 (0.37) CCR6TEAD1YAP1BMP1MDM2
SCHEMBL22718447 0.85 CCR6 (0.44) CCR6TEAD1YAP1BMP1MDM2
SCHEMBL24496286 0.85 CCR6 (0.38) CCR6BMP1SCN9AMDM2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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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