SCHEMBL2718211

SCHEMBL2718211

C[C@](N)(I)c1nc2ccc(F)cc2cc1-c1cccc(S(C)(=O)=O)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.33
PI4KA P42356 2/20 0.33
MAPK14 Q16539 1/20 0.31
PIK3CD O00329 1/20 0.31
LOX P28300 1/20 0.31
ALOX5 P09917 2/20 0.30
BACE1 P56817 1/20 0.30
SCN9A Q15858 1/20 0.30
ACSS2 Q9NR19 1/20 0.30

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
SCHEMBL2717350 0.78 PIK3CD (0.41) PIK3CGPI4KAMAPK14PIK3CDBACE1
SCHEMBL2717351 0.77 IDO1 (0.34) PIK3CGPI4KAMAPK14PIK3CDLOX
SCHEMBL2717748 0.76 TYK2 (0.35) PIK3CGPI4KAMAPK14
SCHEMBL2717752 0.76 KCNA5 (0.33) PIK3CGPI4KAMAPK14PIK3CD
SCHEMBL19787839 0.74 SCD (0.31)
SCHEMBL2717042 0.74 MAPK14 (0.31) MAPK14
SCHEMBL2717044 0.74 MAPK14 (0.31) MAPK14
SCHEMBL2718961 0.72 MAPK14 (0.31) MAPK14ACSS2
SCHEMBL19787860 0.72 MAPK14 (0.31) MAPK14ACSS2
SCHEMBL2730562 0.72 MAPK14 (0.31) MAPK14ACSS2

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
EP-2445900-A2 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed