SCHEMBL4513050

SCHEMBL4513050

NCC(NC(=O)/C=C/c1c[nH]c2ncccc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.56
KMT2A Q03164 1/20 0.45
AKT3 Q9Y243 3/20 0.42
AKT2 P31751 2/20 0.42
GSK3B P49841 5/20 0.42
RPS6KA5 O75582 3/20 0.42
NEK4 P51957 3/20 0.42
PRKCD Q05655 3/20 0.42
PRKG2 Q13237 3/20 0.42
ROCK1 Q13464 3/20 0.42
PRKG1 Q13976 3/20 0.42
PKN2 Q16513 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
DYRK1A Q13627 3/20 0.42
ROCK2 O75116 2/20 0.42
MAP4K4 O95819 2/20 0.42
CHEK2 O96017 2/20 0.42
PRKCG P05129 2/20 0.42
CDK1 P06493 2/20 0.42
PIM1 P11309 2/20 0.42

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
SCHEMBL4513046 1.00 AKT1 (0.56) AKT1KMT2AAKT3AKT2GSK3B
SCHEMBL4513055 1.00 AKT1 (0.56) AKT1KMT2AAKT3AKT2GSK3B
Hydrochloric Acid SCHEMBL4349100 0.87 AKT1 (0.45) AKT1KMT2AAKT3GSK3BRPS6KA5
Hydrochloric Acid SCHEMBL4349093 0.87 AKT1 (0.45) AKT1KMT2AAKT3GSK3BRPS6KA5
SCHEMBL4346678 0.86 AKT1 (0.44) AKT1KMT2AGSK3BRPS6KB1JAK3
SCHEMBL4354582 0.85 KMT2A (0.50) AKT1KMT2AGSK3BCHEK1CDK9
SCHEMBL4343997 0.85 KMT2A (0.50) AKT1KMT2AGSK3BCHEK1CDK9
SCHEMBL4355953 0.84 DYRK1A (0.44) AKT1KMT2AAKT3GSK3BRPS6KA5
SCHEMBL13821642 0.84 AKT1 (0.41) AKT1KMT2AAKT3GSK3BRPS6KA5
SCHEMBL4349063 0.84 DYRK1A (0.44) AKT1KMT2AAKT3GSK3BRPS6KA5

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