SCHEMBL27364359

SCHEMBL27364359

CNc1cc(-c2ccc3cc(OS(=O)(=O)C(F)(F)F)ccc3n2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ BRAF P15056 1/20 0.36
▸ MAOB P27338 3/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ HSD11B1 P28845 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33

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 0.84 IRAK4 (0.42) MAPTBRAFCYP3A4AAK1
SCHEMBL28741615 0.78 RIPK2 (0.41) CA1CA2HSD11B1HTR1AHTR1D
SCHEMBL27364477 0.76 MAPT (0.37) MAPTCA1CA2MAOBHSD11B1
SCHEMBL27364340 0.74 ESR1 (0.56) MAPTCYP3A4ROCK1AAK1
SCHEMBL30779360 0.72 NCF1 (0.54) MAPTCYP3A4
SCHEMBL30779359 0.72 NCF1 (0.54) MAPTCYP3A4
SCHEMBL1064633 0.70 CA1 (0.50) CA1CA2HSD11B1HTR1AHTR1D
SCHEMBL3313661 0.70 CA1 (0.43) MAPTCA1CA2HSD11B1
SCHEMBL400021 0.70 CA1 (0.44) CA1CA2HSD11B1CYP3A4ACP1
SCHEMBL3317026 0.70 CA1 (0.47) CA1CA2HSD11B1HTR1AHTR1D

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 2 patents. 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
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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