SCHEMBL5413830

SCHEMBL5413830

COc1ccc(Nc2ncc3c(n2)-c2ccc(CCCn4cccc4)cc2NC(=O)C3)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.74
KDR P35968 8/20 0.58
INSR P06213 2/20 0.58
PTK2 Q05397 1/20 0.58
AURKB Q96GD4 1/20 0.58

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
SCHEMBL1184724 0.89 PLK1 (0.74) PLK1KDRINSRPTK2AURKB
SCHEMBL16270765 0.89 PLK1 (0.84) PLK1KDRINSRPTK2AURKB
Hydrochloric Acid SCHEMBL1184696 0.89 PLK1 (0.73) PLK1KDRINSRPTK2AURKB
SCHEMBL1183864 0.89 PLK1 (0.73) PLK1KDRINSRPTK2AURKB
SCHEMBL1184202 0.88 PLK1 (0.80) PLK1KDRINSRPTK2AURKB
SCHEMBL1184201 0.88 PLK1 (0.80) PLK1KDRINSRPTK2AURKB
SCHEMBL1183737 0.88 PLK1 (0.79) PLK1KDRINSRPTK2AURKB
SCHEMBL1883730 0.87 PLK1 (0.71) PLK1KDRINSRPTK2AURKB
SCHEMBL1184200 0.87 PLK1 (0.87) PLK1KDRINSRPTK2AURKB
Hydrochloric Acid SCHEMBL1187015 0.87 PLK1 (0.78) PLK1KDRINSRPTK2AURKB

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-1799684-A2 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-27 EP disclosed
WO-2006041773-A2 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed