SCHEMBL29074752

SCHEMBL29074752

C=CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cccnn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 2/20 0.52
▸ BRD4 O60885 5/20 0.44
▸ EGFR P00533 4/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ KDR P35968 2/20 0.43
▸ EPHB4 P54760 1/20 0.43
▸ FYN P06241 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ GSTO1 P78417 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ TEK Q02763 1/20 0.39
▸ TEAD1 P28347 1/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ JAK3 P52333 2/20 0.38
▸ BTK Q06187 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ITK Q08881 1/20 0.37
▸ F13A1 P00488 1/20 0.37
▸ TGM1 P22735 1/20 0.37

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
SCHEMBL29074749 0.83 TGM2 (0.56) TGM2BRD4EGFRKDREPHB4
SCHEMBL30063457 0.81 AKR1C3 (0.49) KMT2AAKR1C3AKR1C2TEAD1YAP1
SCHEMBL21054160 0.81 AKR1C3 (0.49) KMT2AAKR1C3AKR1C2TEAD1YAP1
SCHEMBL25312072 0.81 TEAD1 (0.61) TGM2BRD4EGFRKDRFYN
SCHEMBL25314161 0.80 TGM2 (0.52) TGM2BRD4EGFRKDREPHB4
SCHEMBL31097825 0.78 TGM2 (0.53) TGM2EGFRKDREPHB4FYN
SCHEMBL25314332 0.78 TGM2 (0.53) TGM2EGFRKDREPHB4FYN
SCHEMBL21054279 0.78 MYC (0.45) KMT2AKDRAKR1C3AKR1C2TEK
SCHEMBL27197657 0.78 KMT2A (0.43) EGFRKMT2ATEAD1YAP1
SCHEMBL29074769 0.78 TGM2 (0.52) TGM2BRD4EGFRKDREPHB4

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-116761795-A Inhibitors of Transcription Enhancement Associated Domain (TEAD) and uses thereof 达纳-法伯癌症研究所股份有限公司 2023-09-15 — — CN disclosed
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