SCHEMBL4353161

SCHEMBL4353161

O=C(/C=C/c1c[nH]c2ncccc12)NCc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ CCNE1 P24864 1/20 0.51
▸ DBF4 Q9UBU7 1/20 0.51
▸ GSK3B P49841 9/20 0.50
▸ MAP3K7 O43318 1/20 0.47
▸ TAB1 Q15750 1/20 0.47
▸ CLK1 P49759 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ ROCK2 O75116 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ HIPK2 Q9H2X6 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ ADORA2A P29274 1/20 0.43

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
SCHEMBL4353164 1.00 CDC7 (0.51) CDC7CDK2CCNE1DBF4GSK3B
SCHEMBL4343116 0.88 GSK3B (0.55) CDC7CDK2CCNE1DBF4GSK3B
SCHEMBL4343113 0.88 GSK3B (0.55) CDC7CDK2CCNE1DBF4GSK3B
SCHEMBL4355610 0.87 PDPK1 (0.50) GSK3BKMT2AHDAC1HDAC6
SCHEMBL4344099 0.87 NPSR1 (0.51) GSK3BKMT2ARPS6KB1HDAC1ADORA2A
SCHEMBL4344092 0.87 NPSR1 (0.51) GSK3BKMT2ARPS6KB1HDAC1ADORA2A
SCHEMBL4355602 0.87 PDPK1 (0.50) GSK3BKMT2AHDAC1HDAC6
SCHEMBL24758014 0.87 SNCA (0.51) GSK3BMAP3K7TAB1CLK1DYRK1A
SCHEMBL4346212 0.87 GSK3B (0.58) GSK3BKMT2AHDAC1ADORA2AHDAC6
SCHEMBL4346216 0.87 GSK3B (0.58) GSK3BKMT2AHDAC1ADORA2AHDAC6

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
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