SCHEMBL5065655

SCHEMBL5065655

Oc1ccc(Sc2ccc(OCCc3cccc(F)c3)cc2Nc2ncnc3ncccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.50
AKT2 P31751 1/20 0.50
HCAR2 Q8TDS4 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
EGFR P00533 5/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KDR P35968 1/20 0.34
KMT2A Q03164 1/20 0.34
ERBB2 P04626 2/20 0.33
GSK3B P49841 1/20 0.33
F10 P00742 1/20 0.32
PPARG P37231 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
SCHEMBL5068961 0.93 PIM1 (0.52) PIM1AKT2HCAR2SIRT2EGFR
SCHEMBL810939 0.93 PIM1 (0.54) PIM1AKT2EGFRMEN1MAPT
SCHEMBL4976018 0.90 PIM1 (0.54) PIM1AKT2SIRT2EGFRABCG2
SCHEMBL5061334 0.88 PIM1 (0.66) PIM1AKT2HCAR2SIRT2EGFR
SCHEMBL5067844 0.87 PIM1 (0.55) PIM1AKT2SIRT2EGFRABCG2
SCHEMBL810273 0.85 PIM1 (0.60) PIM1AKT2EGFRMEN1MAPT
SCHEMBL810618 0.84 PIM1 (0.57) PIM1AKT2EGFRABCG2MEN1
SCHEMBL810912 0.83 PIM1 (0.58) PIM1AKT2EGFRMEN1MAPT
SCHEMBL810060 0.83 PIM1 (0.58) PIM1AKT2EGFRABCG2MEN1
SCHEMBL810397 0.82 PIM1 (0.55) PIM1AKT2EGFRABCG2MEN1

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-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed