SCHEMBL24016573

SCHEMBL24016573

CC(=O)Nc1ccc2c(c1)c1cn(C)nc1n2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.69
TEAD4 Q15561 1/20 0.69
TEAD2 Q15562 1/20 0.69
TEAD3 Q99594 1/20 0.69
KIF11 P52732 1/20 0.43
LMNA P02545 1/20 0.42
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 2/20 0.39
P2RY14 Q15391 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA1 P30542 2/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
IDH1 O75874 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL24015693 0.89 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24015646 0.88 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL30055916 0.88 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24016542 0.88 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015783 0.88 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015665 0.88 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24016138 0.87 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24015631 0.87 TEAD1 (0.68) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015890 0.85 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL25042837 0.85 TEAD1 (0.50) TEAD1TEAD4TEAD2TEAD3KIF11

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