SCHEMBL29603147

SCHEMBL29603147

N#Cc1cc(Br)ccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.60
TEAD4 Q15561 3/20 0.50
TEAD2 Q15562 3/20 0.50
TEAD1 P28347 2/20 0.50
TEAD3 Q99594 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GRIK1 P39086 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
IDH2 P48735 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
KIF11 P52732 1/20 0.43
TDO2 P48775 1/20 0.42

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
SCHEMBL22718324 1.00 MPO (0.60) MPOTEAD4TEAD2TEAD1TEAD3
SCHEMBL21764739 0.83 ALDH1A1 (0.61) TEAD4TEAD2TEAD1TEAD3ALDH1A1
SCHEMBL22719490 0.76 MPO (0.60) MPOTEAD1ALDH1A1GAAMAPT
SCHEMBL22719803 0.76 MPO (0.60) MPOTEAD4TEAD2ALDH1A1GAA
SCHEMBL29504957 0.76 MPO (0.60) MPOTEAD1ALDH1A1GAAMAPT
SCHEMBL27747543 0.76 MPO (0.58) MPOALDH1A1GAAMAPTRAB9A
SCHEMBL1688342 0.75 MPO (1.00) MPOTEAD4TEAD2ALDH1A1GRIK1
SCHEMBL29504999 0.74 MPO (0.79) MPOTEAD4TEAD2GRIK1RXFP1
SCHEMBL22719560 0.74 MPO (0.79) MPOTEAD4TEAD2GRIK1RXFP1
SCHEMBL26126952 0.73 TAS2R14 (0.52) MPOTEAD4TEAD2TEAD1TEAD3

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-119954725-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-05-09 CN disclosed
CN-114466839-B TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-01-07 CN disclosed
CN-114466839-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2022-05-10 CN disclosed