SCHEMBL2931664

SCHEMBL2931664

COc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1I

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
FAAH O00519 1/20 0.48
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
ALDH1A1 P00352 4/20 0.46
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44

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
SCHEMBL2930010 0.91 KDM4E (0.51) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL520517 0.86 KDM4E (0.51) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL28670217 0.85 MEN1 (0.50) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL28662739 0.84 FAAH (0.49) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL15155944 0.84 KDM4E (0.49) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL28650471 0.84 VEGFA (0.49) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL28659906 0.84 KMT2A (0.49) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL15302589 0.84 KDM4E (0.51) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL5783899 0.82 KDM4E (0.47) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL18970187 0.82 ALDH1A1 (0.52) KDM4EKMT2AMEN1TP53MAPK1

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-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed