SCHEMBL24016249

SCHEMBL24016249

Cn1cnc2c1c1cc(C(=O)NCc3cccnc3)ccc1n2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 2/20 0.46
SORT1 Q99523 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
VNN1 O95497 1/20 0.44
EPHX2 P34913 1/20 0.44
MAPK1 P28482 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.43
PIK3CA P42336 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL24016536 0.91 LMNA (0.50) ALDH1A1LMNASORT1SMN1; SMN2EPHX2
SCHEMBL24016565 0.86 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL24016253 0.85 PPARG (0.53) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL24016185 0.85 TEAD1 (0.63) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL24016596 0.85 TEAD1 (0.43) ALDH1A1MAPTLMNANAMPTKDM4E
SCHEMBL24016598 0.84 TEAD1 (0.44) ALDH1A1MAPTLMNANAMPTDGAT2
SCHEMBL30561352 0.83 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL25381780 0.83 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL24016579 0.83 TEAD1 (0.48) MAPT
SCHEMBL24016071 0.82 TEAD1 (0.47)

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