SCHEMBL3374526

SCHEMBL3374526

C=Cc1c(F)cnc2ccc(=O)n(C)c12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 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
SCHEMBL3376345 0.87 MEN1 (0.32) PIK3CA
SCHEMBL30236867 0.82 NCOA1 (0.33) NCOA1NCOA3
SCHEMBL21820317 0.82 NCOA1 (0.33) NCOA1NCOA3
SCHEMBL3101274 0.80 BRPF1 (0.33) PIK3CA
SCHEMBL13424820 0.78 DAO (0.36) PIK3CA
SCHEMBL3102544 0.78 JAK2 (0.35) PIK3CA
SCHEMBL13425000 0.78 USP2 (0.33) PIK3CA
SCHEMBL3375679 0.77 L3MBTL1 (0.33) PIK3CA
SCHEMBL3345943 0.77 BRPF1 (0.33) PIK3CA
SCHEMBL30236914 0.77 L3MBTL1 (0.33) PIK3CA

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-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed