SCHEMBL21958755

SCHEMBL21958755

C=CC(=O)N1CCC(Nc2cc(Cl)cc(C(F)(F)F)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 9/20 0.55
▸ RHOC P08134 2/20 0.51
▸ RHOA P61586 2/20 0.51
▸ EGFR P00533 5/20 0.48
▸ BTK Q06187 4/20 0.48
▸ DCUN1D1 Q96GG9 1/20 0.42
▸ SPR P35270 1/20 0.42
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41

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
SCHEMBL21958158 1.00 TEAD1 (0.55) TEAD1RHOCRHOAEGFRBTK
SCHEMBL21958157 0.92 TEAD1 (0.60) TEAD1RHOCRHOAEGFRBTK
SCHEMBL21958183 0.92 TEAD1 (0.60) TEAD1RHOCRHOAEGFRBTK
SCHEMBL25785369 0.86 TEAD1 (0.55) TEAD1RHOCRHOAEGFRBTK
SCHEMBL21958156 0.84 TEAD1 (0.53) TEAD1EGFRBTK
SCHEMBL24780719 0.83 TEAD1 (0.71) TEAD1EGFRBTKDCUN1D1
SCHEMBL21957254 0.83 TEAD1 (0.71) TEAD1EGFRBTKDCUN1D1
SCHEMBL21958163 0.83 TEAD1 (0.71) TEAD1EGFRBTKDCUN1D1
SCHEMBL21958764 0.82 EGFR (0.55) TEAD1EGFRBTK
SCHEMBL21958166 0.82 EGFR (0.55) TEAD1EGFRBTK

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-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 — — WO disclosed
Send feedback