SCHEMBL30114385

SCHEMBL30114385

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn3c(n2)CCC3C)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 2/20 0.49
▸ YAP1 P46937 1/20 0.49
▸ TNNI3K Q59H18 8/20 0.44
▸ MAPT P10636 1/20 0.42
▸ BRAF P15056 4/20 0.41
▸ CDK2 P24941 2/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ CCR6 P51684 2/20 0.36
▸ CCNE1 P24864 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
SCHEMBL24880010 1.00 TEAD1 (0.49) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL24879997 0.85 TEAD1 (0.49) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL30114253 0.85 TEAD1 (0.49) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL24879863 0.85 TEAD1 (0.51) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL24879933 0.85 TEAD1 (0.49) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL30114160 0.84 TEAD1 (0.50) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL24879883 0.84 TEAD1 (0.50) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL24880042 0.84 HRH3 (0.34) TEAD1YAP1CDK2CCNKCCNA2
SCHEMBL24879998 0.84 TEAD1 (0.49) TEAD1YAP1TNNI3KMAPTBRAF
SCHEMBL24879757 0.84 TEAD1 (0.49) TEAD1YAP1TNNI3KMAPTBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594680-A TEAD inhibitor 武汉人福创新药物研发中心有限公司(CN) 2023-01-13 — — CN disclosed
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