SCHEMBL27939079

SCHEMBL27939079

CC(=O)Oc1c[nH]c2ncc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.44
AAK1 Q2M2I8 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SGK1 O00141 1/20 0.37
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
AXL P30530 3/20 0.36
HSD11B1 P28845 1/20 0.36
FLT3 P36888 2/20 0.36
KIT P10721 2/20 0.36
JAK2 O60674 1/20 0.36
SRC P12931 1/20 0.36
CLK1 P49759 2/20 0.36
DYRK1A Q13627 2/20 0.36
PIK3CG P48736 1/20 0.36
MAP3K11 Q16584 2/20 0.36

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
SCHEMBL28567638 0.85 AAK1 (0.38) AAK1GSK3AGSK3BAXLHSD11B1
SCHEMBL27920535 0.84 SLC22A6 (0.45) SLC22A6AAK1MTNR1AMTNR1BSGK1
SCHEMBL27939090 0.82 SLC22A6 (0.48) SLC22A6MTNR1AMTNR1BSGK1AXL
SCHEMBL28761614 0.82 DYRK1A (0.44) SLC22A6AAK1MTNR1AMTNR1BSGK1
SCHEMBL27939107 0.82 ALDH1A1 (0.42) SLC22A6AAK1MTNR1AMTNR1BCLK1
SCHEMBL17324699 0.80 PIK3CA (0.46) SGK1GSK3AGSK3BAXLHSD11B1
SCHEMBL23194615 0.75 AAK1 (0.46) AAK1GSK3AGSK3BFLT3CLK1
SCHEMBL30020999 0.75 AXL (0.63) SGK1AXL
SCHEMBL9938142 0.75 AXL (0.63) SGK1AXL
SCHEMBL2814713 0.73 AXL (0.47) SGK1GSK3AGSK3BAXLHSD11B1

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
CN-103347874-A Dimeric iap inhibitors NOVARTIS AG 2013-10-09 CN disclosed