SCHEMBL24016502

SCHEMBL24016502

C#CC(=O)NCc1ccc2c(c1)c1cn(C)nc1n2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.61
TEAD4 Q15561 2/20 0.61
TEAD2 Q15562 2/20 0.61
TEAD3 Q99594 2/20 0.61
CHRNA7 P36544 5/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TRPV1 Q8NER1 5/20 0.36
KIT P10721 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
HDAC1 Q13547 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL30055697 0.86 TEAD1 (0.62) TEAD1TEAD4TEAD2TEAD3CHRNA7
SCHEMBL24015955 0.86 TEAD1 (0.62) TEAD1TEAD4TEAD2TEAD3CHRNA7
SCHEMBL24015891 0.85 TEAD1 (0.61) TEAD1TEAD4TEAD2TEAD3CHRNA7
SCHEMBL24016542 0.84 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3TRPV1
SCHEMBL24016057 0.81 TEAD1 (0.68) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24015634 0.79 TEAD1 (0.68) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24015629 0.79 TEAD1 (0.65) TEAD1TEAD4TEAD2TEAD3TRPV1
SCHEMBL30056900 0.79 TEAD1 (0.65) TEAD1TEAD4TEAD2TEAD3TRPV1
SCHEMBL24016173 0.79 TEAD1 (0.61) TEAD1TEAD4TEAD2TEAD3CHRNA7
SCHEMBL24016129 0.77 TEAD1 (0.74) TEAD1TEAD4TEAD2TEAD3TRPV1

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-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed