SCHEMBL4343573

SCHEMBL4343573

Cc1cccc(C[C@@H](CN)NC(=O)/C=C/c2c[nH]c3ncccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.44
PIM1 P11309 2/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 2/20 0.39
AKT1 P31749 7/20 0.39
AKT2 P31751 5/20 0.39
AKT3 Q9Y243 5/20 0.39
EGFR P00533 1/20 0.39
PRKCA P17252 1/20 0.39
SYK P43405 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL4343581 1.00 GSK3B (0.44) GSK3BPIM1CDC7ROCK2PRKACA
Hydrochloric Acid SCHEMBL4343338 0.91 GSK3B (0.44) GSK3BPIM1KMT2AHDAC1AKT1
Hydrochloric Acid SCHEMBL4343333 0.91 GSK3B (0.44) GSK3BPIM1KMT2AHDAC1AKT1
SCHEMBL4348275 0.89 GSK3B (0.52) GSK3BKMT2AHDAC1AKT1AKT2
SCHEMBL4348278 0.89 GSK3B (0.52) GSK3BKMT2AHDAC1AKT1AKT2
Hydrochloric Acid SCHEMBL4349297 0.89 AKT1 (0.48) GSK3BPIM1CDC7ROCK2PRKACA
Hydrochloric Acid SCHEMBL4349299 0.89 AKT1 (0.48) GSK3BPIM1CDC7ROCK2PRKACA
Hydrochloric Acid SCHEMBL4348323 0.89 GSK3B (0.51) GSK3BKMT2AHDAC1AKT1AKT2
Hydrochloric Acid SCHEMBL4348331 0.89 GSK3B (0.51) GSK3BKMT2AHDAC1AKT1AKT2
Hydrochloric Acid SCHEMBL4348650 0.87 AKT1 (0.50) GSK3BPIM1CDC7ROCK2PRKACA

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