SCHEMBL27364477

SCHEMBL27364477

CN(C(=O)OC(C)(C)C)c1cc(-c2ccc3cc(OS(=O)(=O)C(F)(F)F)ccc3n2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ SCN9A Q15858 3/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ KAT8 Q9H7Z6 2/20 0.32
▸ KAT6A Q92794 1/20 0.32
▸ KAT5 Q92993 1/20 0.32
▸ F2 P00734 1/20 0.31

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
SCHEMBL27364663 0.81 IRAK4 (0.42) MAPTAAK1
SCHEMBL27364359 0.76 MAPT (0.47) MAPTAAK1HSD11B1MAOBCA1
SCHEMBL17430156 0.72 MAPT (0.51) MAPTAAK1PAX8MAOB
SCHEMBL12324089 0.71 PAX8 (0.51) MAPTPAX8MAOB
SCHEMBL12323527 0.71 MAPT (0.58) MAPTPAX8MAOB
SCHEMBL17432481 0.70 MAPT (0.49) MAPTAAK1PAX8MAOBSCN9A
SCHEMBL17430158 0.70 ESR2 (0.48) MAPTAAK1PAX8MAOB
SCHEMBL17430139 0.70 PAX8 (0.49) MAPTPAX8MAOB
SCHEMBL18027579 0.69 MAPT (0.60) MAPTPAX8MAOBKAT8KAT6A
SCHEMBL24150803 0.68 MTNR1A (0.40) HSD11B1HTR1AHTR1DHTR1B

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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