SCHEMBL25857010

SCHEMBL25857010

CC1C=CC(c2c[nH]c3ncc(N4CCOCC4)cc23)=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.46
MAP4K1 Q92918 2/20 0.44
IL2 P60568 1/20 0.44
CLK1 P49759 2/20 0.40
DYRK1A Q13627 2/20 0.40
PIK3CA P42336 2/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
PIK3R1 P27986 1/20 0.36
MET P08581 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
SCHEMBL30524641 0.73 PIK3C3 (0.53) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL18892042 0.72 MAP4K1 (0.47) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL30524645 0.72 LRRK2 (0.62) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL30524644 0.72 MAPK1 (0.51) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL1487526 0.71 LRRK2 (0.59) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL31235685 0.71 MAPK1 (0.59) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL25852662 0.71 MAPK1 (0.43) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL1487564 0.70 MAP4K1 (0.47) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL1713730 0.69 MAPK1 (0.45) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL3411072 0.69 LRRK2 (0.62) MAPK1MAP4K1IL2CLK1DYRK1A

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
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 EP disclosed