SCHEMBL24016137

SCHEMBL24016137

Cn1cc2c3cc(NC(=O)c4ccccn4)ccc3n(-c3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.60
TEAD4 Q15561 1/20 0.60
TEAD2 Q15562 1/20 0.60
TEAD3 Q99594 1/20 0.60
GRM4 Q14833 9/20 0.46
CES1 P23141 1/20 0.46
BRAF P15056 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
GRM1 Q13255 1/20 0.41
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL25042808 0.87 USP2 (0.45) TEAD1TEAD4TEAD2TEAD3GRM4
SCHEMBL24016573 0.85 TEAD1 (0.69) TEAD1TEAD4TEAD2TEAD3BRAF
SCHEMBL24016281 0.84 TEAD1 (0.61) TEAD1TEAD4TEAD2TEAD3BRAF
SCHEMBL30055916 0.83 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24015646 0.83 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24015693 0.82 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3LMNA
SCHEMBL24015783 0.81 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3
SCHEMBL24015665 0.81 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3TRPV1
SCHEMBL24016542 0.81 TEAD1 (0.64) TEAD1TEAD4TEAD2TEAD3TRPV1
SCHEMBL24016138 0.81 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3LMNA

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