SCHEMBL4347649

SCHEMBL4347649

O=C(/C=C/c1c[nH]c2ncccc12)N[C@H](CN1CCOCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
MAPK1 P28482 4/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
GPR88 Q9GZN0 1/20 0.42
CHEK1 O14757 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
AXL P30530 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 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
SCHEMBL4347658 1.00 GSK3B (0.44) GSK3BMAPK1ROCK2ROCK1GPR88
SCHEMBL4349068 0.92 DYRK1A (0.44) GSK3BMAPK1ROCK2ROCK1GPR88
SCHEMBL4349063 0.92 DYRK1A (0.44) GSK3BMAPK1ROCK2ROCK1GPR88
SCHEMBL4355953 0.92 DYRK1A (0.44) GSK3BMAPK1ROCK2ROCK1GPR88
SCHEMBL4355957 0.92 DYRK1A (0.44) GSK3BMAPK1ROCK2ROCK1GPR88
SCHEMBL4346657 0.89 GPR88 (0.43) GSK3BMAPK1ROCK2ROCK1GPR88
SCHEMBL4346646 0.89 GPR88 (0.43) GSK3BMAPK1ROCK2ROCK1GPR88
SCHEMBL4667756 0.84 MAPK1 (0.46) MAPK1ROCK2ROCK1GPR88CHEK1
SCHEMBL4667763 0.84 MAPK1 (0.46) MAPK1ROCK2ROCK1GPR88CHEK1
SCHEMBL4355471 0.83 ROCK2 (0.47) GSK3BMAPK1ROCK2ROCK1CHEK1

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