SCHEMBL27364663

SCHEMBL27364663

CC(C)(C)OC(=O)Nc1cc(-c2ccc3cc(OS(=O)(=O)C(F)(F)F)ccc3n2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ AAK1 Q2M2I8 15/20 0.40
▸ DAPK1 P53355 3/20 0.39
▸ MKNK2 Q9HBH9 3/20 0.39
▸ BMP2K Q9NSY1 3/20 0.39
▸ GAK O14976 2/20 0.39
▸ DAPK3 O43293 2/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ HIPK4 Q8NE63 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ DMPK Q09013 1/20 0.39
▸ MKNK1 Q9BUB5 2/20 0.39
▸ MYLK2 Q9H1R3 2/20 0.39
▸ CIT O14578 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ TLK2 Q86UE8 1/20 0.39
▸ STK39 Q9UEW8 1/20 0.39
▸ TLK1 Q9UKI8 1/20 0.39

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
SCHEMBL27364359 0.84 MAPT (0.47) AAK1MAPTBRAFCYP3A4
SCHEMBL27364556 0.82 IRAK4 (0.47) IRAK4AAK1DAPK1MKNK2BMP2K
SCHEMBL27364477 0.81 MAPT (0.37) AAK1MAPT
SCHEMBL14784481 0.74 CNR2 (0.41) —
SCHEMBL17430152 0.74 MAPT (0.49) MAPTGSK3BDYRK1A
SCHEMBL27364664 0.74 IRAK4 (0.41) IRAK4AAK1DAPK1MKNK2BMP2K
SCHEMBL5958787 0.72 MAPT (0.47) MAPTGSK3BDYRK1A
SCHEMBL21827970 0.71 GSK3B (0.45) GSK3BDYRK1A
SCHEMBL10049511 0.71 ESR2 (0.49) MAPTGSK3BDYRK1A
SCHEMBL27364273 0.71 IRAK4 (0.43) IRAK4AAK1DAPK1MKNK2BMP2K

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-2024049976-A1 N-METHYL-4-(QUINOLIN-2-YL)PYRIDIN-2-AMINE COMPOUNDS ABBVIE INC. (US) 2024-03-07 — — WO disclosed
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