SCHEMBL24879993

SCHEMBL24879993

CNS(=O)(=O)c1ccc(Nc2ccnc(C(C)(C)O)c2)c(-c2cn3c(n2)CCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.43
▸ YAP1 P46937 1/20 0.43
▸ WDR5 P61964 8/20 0.37
▸ TNNI3K Q59H18 3/20 0.33
▸ TGFBR1 P36897 5/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL30114144 1.00 TEAD1 (0.43) TEAD1YAP1WDR5TNNI3KTGFBR1
SCHEMBL24879865 0.89 TEAD1 (0.45) TEAD1YAP1WDR5TNNI3KNPC1
SCHEMBL24880072 0.81 WDR5 (0.39) WDR5NPC1MAPTRAB9AKMT2A
SCHEMBL30113958 0.81 WDR5 (0.39) WDR5NPC1MAPTRAB9AKMT2A
SCHEMBL24880000 0.78 TEAD1 (0.47) TEAD1YAP1WDR5TNNI3KNPC1
SCHEMBL24631139 0.77 WDR5 (0.44) WDR5NPC1MAPTRAB9AKMT2A
SCHEMBL24879863 0.76 TEAD1 (0.51) TEAD1YAP1TNNI3KBRAFMAPT
SCHEMBL24631134 0.75 WDR5 (0.44) WDR5NPC1MAPTRAB9AKMT2A
SCHEMBL24879883 0.74 TEAD1 (0.50) TEAD1YAP1TNNI3KBRAFMAPT
SCHEMBL30114160 0.74 TEAD1 (0.50) TEAD1YAP1TNNI3KBRAFMAPT

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
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
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
Send feedback