SCHEMBL30524641

SCHEMBL30524641

Cc1cc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.53
MAPK1 P28482 11/20 0.51
MAP4K1 Q92918 2/20 0.50
IL2 P60568 1/20 0.50
CLK1 P49759 2/20 0.45
DYRK1A Q13627 2/20 0.45
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
LRRK2 Q5S007 2/20 0.42
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 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
SCHEMBL30524645 0.83 LRRK2 (0.62) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL1487526 0.78 LRRK2 (0.59) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL31235685 0.78 MAPK1 (0.59) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL18892042 0.76 MAP4K1 (0.47) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL30524644 0.76 MAPK1 (0.51) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL21557641 0.75 MAPK1 (0.48) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL1487564 0.74 MAP4K1 (0.47) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL21962024 0.73 MAP4K1 (0.45) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL22403198 0.73 MAPK1 (0.62) MAPK1MAP4K1IL2
SCHEMBL25853355 0.73 MAPK1 (0.59) MAPK1

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