SCHEMBL24016563

SCHEMBL24016563

CCCNC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.72
TEAD4 Q15561 1/20 0.72
TEAD2 Q15562 1/20 0.72
TEAD3 Q99594 1/20 0.72
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.44
P2RY14 Q15391 1/20 0.43
MCHR1 Q99705 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
GCGR P47871 3/20 0.40
ATM Q13315 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL25597059 0.93 TEAD1 (0.67) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24015683 0.93 TEAD1 (0.72) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL30375620 0.93 TEAD1 (0.72) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016129 0.92 TEAD1 (0.74) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL25193481 0.92 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL30376337 0.92 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016194 0.92 TEAD1 (0.71) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24015676 0.91 TEAD1 (0.69) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL30375250 0.91 TEAD1 (0.69) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL25205098 0.91 TEAD1 (0.69) TEAD1TEAD4TEAD2TEAD3ALDH1A1

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