SCHEMBL6439743

SCHEMBL6439743

O=C1CC[C]c2ccccc2N1CCCCc1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.45
ITGAV P06756 10/20 0.45
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLK4 O00444 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
PIM1 P11309 1/20 0.38
AXL P30530 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
IRAK1 P51617 1/20 0.38
NEK4 P51957 1/20 0.38
CSNK1G2 P78368 1/20 0.38

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
SCHEMBL6439442 0.87 ITGB3 (0.50) ITGB3ITGAVAURKAAURKBMEN1
SCHEMBL6439741 0.84 ITGB3 (0.46) ITGB3ITGAVAURKAAURKBMEN1
SCHEMBL6440168 0.82 ITGB3 (0.67) ITGB3ITGAV
SCHEMBL6439157 0.78 ITGB3 (0.40) ITGB3ITGAVAURKAAURKBMEN1
SCHEMBL5028344 0.78 ITGB3 (0.74) ITGB3ITGAVPDE10A
SCHEMBL5025651 0.74 ITGB3 (0.53) ITGB3ITGAVPDE10A
SCHEMBL6440635 0.72 ITGB3 (0.55) ITGB3ITGAV
SCHEMBL26299109 0.71 MEN1 (0.69) AURKAAURKBMEN1KMT2APLK4
SCHEMBL6439441 0.71 ITGB3 (0.51) ITGB3ITGAVAURKAAURKBMEN1
SCHEMBL6445908 0.71 ITGB3 (0.58) ITGB3ITGAVMEN1KMT2A

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
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed