SCHEMBL4381544

SCHEMBL4381544

Cc1ccc2c(Nc3cc(OCCc4ccc(Br)cc4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.71
AKT2 P31751 1/20 0.71
HTT P42858 1/20 0.35
KDR P35968 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
EGFR P00533 3/20 0.32
IGF1R P08069 1/20 0.32
FLT4 P35916 1/20 0.32
FBP1 P09467 1/20 0.32
ALK Q9UM73 1/20 0.32
SIRT2 Q8IXJ6 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
SCHEMBL5065667 0.93 PIM1 (0.67) PIM1AKT2HTTKDRMEN1
SCHEMBL810522 0.93 PIM1 (0.77) PIM1AKT2HTTKDRMEN1
SCHEMBL5065555 0.91 PIM1 (0.70) PIM1AKT2KDRMEN1MAPT
SCHEMBL5067844 0.87 PIM1 (0.55) PIM1AKT2HTTKDRMAOA
SCHEMBL5061334 0.87 PIM1 (0.66) PIM1AKT2KDRMEN1MAPT
SCHEMBL810678 0.86 PIM1 (0.71) PIM1AKT2HTTKDRMEN1
SCHEMBL810188 0.86 PIM1 (0.73) PIM1AKT2KDRMEN1MAPT
SCHEMBL810579 0.85 PIM1 (0.76) PIM1AKT2KDRMEN1MAPT
SCHEMBL810708 0.85 PIM1 (0.69) PIM1AKT2HTTKDREGFR
SCHEMBL810332 0.85 PIM1 (0.72) PIM1AKT2KDRMEN1MAPT

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-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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