SCHEMBL6850682

SCHEMBL6850682

OC/C=C/c1ccc(-c2ncccn2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
AOC3 Q16853 2/20 0.37
VCP P55072 1/20 0.34
ADRB2 P07550 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KAT6A Q92794 2/20 0.34
NFE2L2 Q16236 2/20 0.33
ERN1 O75460 1/20 0.33
TOP1 P11387 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CLK4 Q9HAZ1 3/20 0.32
DYRK1A Q13627 1/20 0.32
POLB P06746 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL6850690 1.00 PIK3CD (0.37) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL6684831 0.80 PIK3CD (0.40) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL6854292 0.78 PIK3CD (0.36) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL6854283 0.78 PIK3CD (0.36) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL6854288 0.78 PIK3CD (0.36) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL6879829 0.77 PIK3CD (0.38) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL6655010 0.77 PIK3CD (0.38) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL6657527 0.76 ERN1 (0.45) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL27612840 0.74 PIK3CD (0.38) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL6228723 0.74 ADRB2 (0.44) AOC3ADRB2NPC1RAB9ACLK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed