SCHEMBL4344181

SCHEMBL4344181

O=C(/C=C/c1c[nH]c2ncc(NC(=O)c3ccccc3)cc12)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.52
▸ GSK3B P49841 13/20 0.51
▸ NAMPT P43490 2/20 0.49
▸ PRKD3 O94806 3/20 0.48
▸ MAP4K4 O95819 3/20 0.48
▸ NTRK1 P04629 3/20 0.48
▸ AXL P30530 3/20 0.48
▸ FLT4 P35916 3/20 0.48
▸ FLT3 P36888 3/20 0.48
▸ CLK2 P49760 3/20 0.48
▸ MAP4K2 Q12851 3/20 0.48
▸ CAMK2B Q13554 3/20 0.48
▸ CAMK2G Q13555 3/20 0.48
▸ CAMK2D Q13557 3/20 0.48
▸ PTK6 Q13882 3/20 0.48
▸ NTRK3 Q16288 3/20 0.48
▸ PKN2 Q16513 3/20 0.48
▸ MINK1 Q8N4C8 3/20 0.48
▸ PRKD2 Q9BZL6 3/20 0.48
▸ SLK Q9H2G2 3/20 0.48

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
SCHEMBL4344188 1.00 HDAC1 (0.52) HDAC1GSK3BNAMPTPRKD3MAP4K4
SCHEMBL4343841 0.88 GSK3B (0.51) HDAC1GSK3BNAMPTPLAUMMP1
SCHEMBL4343847 0.88 GSK3B (0.51) HDAC1GSK3BNAMPTPLAUMMP1
SCHEMBL4346687 0.87 GSK3B (0.49) HDAC1GSK3BPLAUMMP1MMP2
SCHEMBL4346683 0.87 GSK3B (0.49) HDAC1GSK3BPLAUMMP1MMP2
SCHEMBL4343457 0.83 PRKD3 (0.53) GSK3BPRKD3MAP4K4NTRK1AXL
SCHEMBL4343461 0.83 PRKD3 (0.53) GSK3BPRKD3MAP4K4NTRK1AXL
SCHEMBL13821714 0.83 GSK3B (0.51) HDAC1GSK3BPRKD3MAP4K4NTRK1
SCHEMBL24758015 0.83 PLAU (0.60) HDAC1GSK3BPLAUMMP1MMP2
SCHEMBL31107440 0.83 PLAU (0.60) HDAC1GSK3BPLAUMMP1MMP2

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 3 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
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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