SCHEMBL4976018

SCHEMBL4976018

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.54
AKT2 P31751 1/20 0.54
EGFR P00533 8/20 0.45
SIRT2 Q8IXJ6 1/20 0.36
FBP1 P09467 1/20 0.35
ERBB2 P04626 2/20 0.33
HDAC3 O15379 1/20 0.33
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
CDK2 P24941 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL810912 0.93 PIM1 (0.58) PIM1AKT2EGFRERBB2HDAC3
SCHEMBL5067844 0.92 PIM1 (0.55) PIM1AKT2EGFRSIRT2FBP1
SCHEMBL5065655 0.90 PIM1 (0.50) PIM1AKT2EGFRSIRT2ERBB2
SCHEMBL5065555 0.88 PIM1 (0.70) PIM1AKT2EGFRSIRT2FBP1
SCHEMBL5068961 0.88 PIM1 (0.52) PIM1AKT2EGFRSIRT2ABCG2
SCHEMBL5067752 0.86 PIM1 (0.57) PIM1AKT2EGFRFBP1
SCHEMBL811361 0.86 PIM1 (0.59) PIM1AKT2EGFRERBB2HDAC3
SCHEMBL810273 0.85 PIM1 (0.60) PIM1AKT2EGFRERBB2HDAC6
SCHEMBL810543 0.83 PIM1 (0.56) PIM1AKT2EGFRERBB2HDAC3
SCHEMBL810939 0.83 PIM1 (0.54) PIM1AKT2EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
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
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed