SCHEMBL2492883

SCHEMBL2492883

COCCCN(C(=O)O)c1cccc(Cn2nc(-c3ccc(F)c(F)c3)ccc2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.49
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHEK1 O14757 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
TYRO3 Q06418 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL2469391 0.96 MET (0.48) METPDE4APDE4BPDE4CPDE4D
SCHEMBL2496076 0.95 MET (0.47) METPDE4APDE4BPDE4CPDE4D
SCHEMBL2468145 0.92 MET (0.45) METPDE4APDE4BPDE4CPDE4D
SCHEMBL2467270 0.90 MET (0.53) METPDE4APDE4BPDE4CPDE4D
SCHEMBL2467459 0.90 MET (0.53) METPDE4APDE4BPDE4CPDE4D
SCHEMBL2491089 0.90 MET (0.59) METCHEK1NEK2LIMK1TYRO3
SCHEMBL2468870 0.88 MET (0.46) METPDE4APDE4BPDE4CPDE4D
SCHEMBL2466972 0.88 MET (0.50) METPDE4APDE4BPDE4CPDE4D
SCHEMBL2496053 0.88 MET (0.44) METPDE4APDE4BPDE4CPDE4D
SCHEMBL2469419 0.87 MET (0.56) METCHEK1NEK2LIMK1TYRO3

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
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 US claimed
EP-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 EP claimed