SCHEMBL24879914

SCHEMBL24879914

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)OC)cn2)c(-c2cn3c(n2)CCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 2/20 0.44
▸ YAP1 P46937 1/20 0.44
▸ BRAF P15056 6/20 0.38
▸ TNNI3K Q59H18 8/20 0.38
▸ MAPT P10636 1/20 0.37
▸ WDR5 P61964 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CCR6 P51684 1/20 0.32

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
SCHEMBL24879863 0.92 TEAD1 (0.51) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL24879934 0.91 TEAD1 (0.42) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL30114160 0.90 TEAD1 (0.50) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL24879883 0.90 TEAD1 (0.50) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL24879918 0.85 WDR5 (0.35) TEAD1WDR5NPC1LMNAGAA
SCHEMBL30135282 0.81 TEAD1 (0.66) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL24788980 0.81 TEAD1 (0.66) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL24880012 0.80 TEAD1 (0.51) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL24880172 0.80 TEAD1 (0.50) TEAD1YAP1BRAFTNNI3KMAPT
SCHEMBL24880000 0.78 TEAD1 (0.47) TEAD1YAP1TNNI3KMAPTWDR5

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
WO-2023280254-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-01-12 — — WO disclosed
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