SCHEMBL29934758

SCHEMBL29934758

CC(F)(F)c1ccc(-c2cc(N)c(C#N)c3c2OCC3)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.33
GRM2 Q14416 1/20 0.32
TEAD1 P28347 2/20 0.32
TEAD4 Q15561 2/20 0.32
TEAD2 Q15562 2/20 0.32
TEAD3 Q99594 2/20 0.32
MAPKAPK2 P49137 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
XDH P47989 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL23363723 1.00 SLC5A2 (0.33) SLC5A2GRM2TEAD1TEAD4TEAD2
SCHEMBL25064157 0.91 ALDH1A1 (0.38) SLC5A2MAPKAPK2ALDH1A1KDM4ELMNA
SCHEMBL30364092 0.91 ALDH1A1 (0.38) SLC5A2MAPKAPK2ALDH1A1KDM4ELMNA
SCHEMBL30460617 0.83 KDM4E (0.32) TEAD1TEAD4TEAD2TEAD3KDM4E
SCHEMBL25064016 0.83 KDM4E (0.32) TEAD1TEAD4TEAD2TEAD3KDM4E
SCHEMBL30460367 0.83 KDM4E (0.32) TEAD1TEAD4TEAD2TEAD3KDM4E
SCHEMBL25064026 0.83 KDM4E (0.32) TEAD1TEAD4TEAD2TEAD3KDM4E
SCHEMBL25064015 0.83 KDM4E (0.32) TEAD1TEAD4TEAD2TEAD3KDM4E
SCHEMBL30460355 0.83 KDM4E (0.32) TEAD1TEAD4TEAD2TEAD3KDM4E
SCHEMBL23363833 0.83 TEAD1 (0.45) SLC5A2TEAD1TEAD4TEAD2TEAD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234797-A Heterocyclic inhibitors of TEAD for the treatment of cancer 基因泰克公司 2023-06-06 CN disclosed
EP-4185386-A1 HETEROCYCLIC INHIBITORS OF TEAD FOR TREATING CANCER Genentech, Inc. (US) 2023-05-31 EP disclosed
EP-4058435-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2022-09-21 EP disclosed