SCHEMBL4348278

SCHEMBL4348278

NC[C@H](Cc1ccccc1)NC(=O)C=Cc1c[nH]c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.52
AKT1 P31749 5/20 0.44
AKT2 P31751 3/20 0.44
AKT3 Q9Y243 3/20 0.44
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.42
MET P08581 1/20 0.41
MAP3K7 O43318 2/20 0.41
TAB1 Q15750 2/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4348275 1.00 GSK3B (0.52) GSK3BAKT1AKT2AKT3KMT2A
Hydrochloric Acid SCHEMBL4348323 0.99 GSK3B (0.51) GSK3BAKT1AKT2AKT3KMT2A
Hydrochloric Acid SCHEMBL4348331 0.99 GSK3B (0.51) GSK3BAKT1AKT2AKT3KMT2A
Hydrochloric Acid SCHEMBL4355615 0.93 GSK3B (0.50) GSK3BAKT1AKT2AKT3KMT2A
Hydrochloric Acid SCHEMBL4356201 0.93 GSK3B (0.50) GSK3BAKT1AKT2AKT3KMT2A
Hydrochloric Acid SCHEMBL4348361 0.92 GSK3B (0.44) GSK3BAKT1AKT2AKT3KMT2A
Hydrochloric Acid SCHEMBL4348372 0.92 GSK3B (0.44) GSK3BAKT1AKT2AKT3KMT2A
Hydrochloric Acid SCHEMBL4349039 0.91 GSK3B (0.45) GSK3BKMT2AAURKAAURKBHDAC1
Hydrochloric Acid SCHEMBL4349045 0.91 GSK3B (0.45) GSK3BKMT2AAURKAAURKBHDAC1
Hydrochloric Acid SCHEMBL4343985 0.91 GSK3B (0.49) GSK3BAKT1AKT2AKT3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP claimed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed