SCHEMBL2874609

SCHEMBL2874609

NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1=Cc2c[nH]c3nccc(c23)NC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.43
SNCA P37840 17/20 0.43
NEK1 Q96PY6 2/20 0.41

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
SCHEMBL2874191 0.88 AKT1 (0.38) SNCA
SCHEMBL2874795 0.86 ECE1 (0.43) ECE1SNCA
SCHEMBL2873639 0.86 AKT1 (0.45) ECE1NEK1
Hydrochloric Acid SCHEMBL2878733 0.85 AKT1 (0.45) ECE1NEK1
SCHEMBL2870786 0.83 SNCA (0.42) ECE1SNCA
SCHEMBL2878514 0.78 AKT1 (0.48)
SCHEMBL2874136 0.75 AKT1 (0.37) SNCA
SCHEMBL2876511 0.72 AKT1 (0.35) SNCA
SCHEMBL2876674 0.71 ITGB2 (0.43) ECE1SNCA
SCHEMBL2877014 0.71 JAK2 (0.40)

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-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-A1 Cyclocondensed azaindoles active as kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed