SCHEMBL24016185

SCHEMBL24016185

Cn1cc2c3cc(C(=O)NCc4cccnc4)ccc3n(-c3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.63
TEAD4 Q15561 1/20 0.63
TEAD2 Q15562 1/20 0.63
TEAD3 Q99594 1/20 0.63
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SORT1 Q99523 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
BLM P54132 1/20 0.45
ALOX12 P18054 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL24016493 0.91 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24015634 0.91 TEAD1 (0.68) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016637 0.87 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016104 0.87 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016492 0.86 TEAD1 (0.67) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016248 0.86 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL30561352 0.85 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL25381780 0.85 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL24016565 0.85 MEN1 (0.55) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL24016228 0.85 TEAD1 (0.63) 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