SCHEMBL29648374

SCHEMBL29648374

CNS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)c(-c2cn(C)nn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 2/20 0.54
▸ YAP1 P46937 1/20 0.54
▸ FLT1 P17948 9/20 0.44
▸ KDR P35968 9/20 0.44
▸ PTGS2 P35354 2/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ TNNI3K Q59H18 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ASPH Q12797 1/20 0.35
▸ RIOX2 Q8IUF8 1/20 0.35
▸ KDM8 Q8N371 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TLR2 O60603 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
SCHEMBL24496380 1.00 TEAD1 (0.54) TEAD1YAP1FLT1KDRPTGS2
SCHEMBL24496092 0.86 TEAD1 (0.48) TEAD1YAP1FLT1KDRPTGS2
SCHEMBL22718245 0.85 TEAD1 (0.74) TEAD1YAP1FLT1KDRPTGS2
SCHEMBL24496275 0.83 TEAD1 (0.45) TEAD1YAP1FLT1KDRPTGS2
SCHEMBL24496020 0.82 TEAD1 (0.52) TEAD1YAP1PTGS2TNNI3KCYP19A1
SCHEMBL29648434 0.81 TEAD1 (0.65) TEAD1YAP1FLT1KDRPTGS2
SCHEMBL24496081 0.80 TEAD1 (0.56) TEAD1YAP1PTGS2TNNI3KKDM4E
SCHEMBL24496331 0.80 TEAD1 (0.55) TEAD1YAP1FLT1KDRPTGS2
SCHEMBL24496022 0.80 TEAD1 (0.55) TEAD1YAP1FLT1KDRPTGS2
SCHEMBL29648281 0.80 TEAD1 (0.55) TEAD1YAP1FLT1KDRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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