SCHEMBL30129695

SCHEMBL30129695

CNS(=O)(=O)c1cccc(-c2cn(C)cn2)c1Nc1ccc(C(F)(F)OC2CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 3/20 0.42
▸ YAP1 P46937 1/20 0.42
▸ TNNI3K Q59H18 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KCNH2 Q12809 3/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAP3K12 Q12852 1/20 0.30

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
SCHEMBL30129873 0.89 TEAD1 (0.49) TEAD1YAP1TNNI3KMAPTTSHR
SCHEMBL24788978 0.83 TEAD1 (0.61) TEAD1YAP1TNNI3KMAPTKCNH2
SCHEMBL30129838 0.83 TEAD1 (0.61) TEAD1YAP1TNNI3KMAPTKCNH2
SCHEMBL24791425 0.75 TEAD1 (0.40) TEAD1YAP1KCNH2GABRA1GABRG2
SCHEMBL24788976 0.73 TEAD1 (0.75) TEAD1YAP1TNNI3KTSHRL3MBTL1
SCHEMBL24788980 0.71 TEAD1 (0.66) TEAD1YAP1TNNI3KMAPT
SCHEMBL30135282 0.71 TEAD1 (0.66) TEAD1YAP1TNNI3KMAPT
SCHEMBL22718190 0.68 TEAD1 (0.77) TEAD1YAP1TNNI3KMAPTTSHR
SCHEMBL29438880 0.68 TEAD1 (0.77) TEAD1YAP1TNNI3KMAPTTSHR
SCHEMBL24879934 0.67 TEAD1 (0.42) TEAD1YAP1TNNI3KMAPT

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-115466243-A Heterocyclic compounds for TEAD inhibitors 武汉人福创新药物研发中心有限公司 2022-12-13 — — CN disclosed
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