SCHEMBL2881447

SCHEMBL2881447

O=C(N[C@H](CN1CCCC1)c1ccccc1)C1=Cc2c[nH]c3nccc(c23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.41
ROCK1 Q13464 8/20 0.41
AURKA O14965 3/20 0.38
AURKB Q96GD4 3/20 0.37
CHEK1 O14757 2/20 0.37
FGFR1 P11362 2/20 0.37
PRKACA P17612 2/20 0.37
FLT4 P35916 2/20 0.37
JAK3 P52333 2/20 0.37
CDC7 O00311 1/20 0.37
JAK2 O60674 1/20 0.37
PAK4 O96013 1/20 0.37
NTRK1 P04629 1/20 0.37
PRKCB P05771 1/20 0.37
INSR P06213 1/20 0.37
RET P07949 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
PDK1 Q15118 1/20 0.37
STK26 Q9P289 1/20 0.37

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
SCHEMBL2876760 0.93 ROCK2 (0.44) ROCK2ROCK1AURKAAURKBCHEK1
SCHEMBL2870470 0.92 ROCK2 (0.43) ROCK2ROCK1AURKAAURKBCHEK1
SCHEMBL2876490 0.86 AKT1 (0.46) ROCK2ROCK1RPS6KB1RPS6KA5MAP4K4
SCHEMBL2876992 0.86 ROCK2 (0.41) ROCK2ROCK1AURKAAURKBCHEK1
SCHEMBL2877177 0.83 ROCK2 (0.41) ROCK2ROCK1AURKAAURKBCHEK1
SCHEMBL2878625 0.80 ROCK2 (0.44) ROCK2ROCK1AURKAAURKBCHEK1
SCHEMBL2874316 0.78 ROCK2 (0.43) ROCK2ROCK1AURKAAURKBCHEK1
SCHEMBL2875905 0.78 ROCK2 (0.42) ROCK2ROCK1AURKAGPR88DYRK1A
SCHEMBL2876892 0.76 ROCK2 (0.43) ROCK2ROCK1AURKAAURKBCHEK1
SCHEMBL2874516 0.75 AKT1 (0.43) ROCK2ROCK1PRKACARPS6KA5PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2002836-B1 Cyclocondensed azaindoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2010-10-20 EP claimed
EP-2002836-A1 Cyclocondensed azaindoles active as kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP claimed
EP-2002836-B1 Cyclocondensed azaindoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2010-10-20 EP disclosed
EP-2002836-B1 Cyclocondensed azaindoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2010-10-20 EP disclosed
EP-2002836-A1 Cyclocondensed azaindoles active as kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed
EP-2002836-A1 Cyclocondensed azaindoles active as kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed