SCHEMBL24015693

SCHEMBL24015693

Cn1cc2c3cc(NC(=O)CO)ccc3n(-c3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.66
TEAD4 Q15561 1/20 0.66
TEAD2 Q15562 1/20 0.66
TEAD3 Q99594 1/20 0.66
ADORA3 P0DMS8 6/20 0.39
ADORA1 P30542 4/20 0.39
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
KCNQ4 P56696 2/20 0.38
KCNQ5 Q9NR82 2/20 0.38
ADORA2A P29274 4/20 0.38
ADORA2B P29275 1/20 0.38
MCHR1 Q99705 3/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 2/20 0.36
HTR2B P41595 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
AKR1B1 P15121 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL30055916 0.91 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015646 0.91 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24016573 0.89 TEAD1 (0.69) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015665 0.85 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24016542 0.85 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015783 0.85 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24016138 0.85 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24015631 0.84 TEAD1 (0.68) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24015890 0.83 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3ADORA3
SCHEMBL24016571 0.82 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3ADORA3

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