SCHEMBL2466035

SCHEMBL2466035

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HDAC1 Q13547 2/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL2468870 0.95 MET (0.46) METMEN1KMT2APDE4APDE4B
SCHEMBL2466030 0.91 MET (0.44) METMEN1KMT2APDE4APDE4B
SCHEMBL2466972 0.89 MET (0.50) METMEN1KMT2APDE4APDE4B
SCHEMBL2468835 0.89 MET (0.58) METMEN1KMT2AHDAC1
SCHEMBL2496053 0.89 MET (0.44) METMEN1KMT2APDE4APDE4B
SCHEMBL2496076 0.88 MET (0.47) METMEN1KMT2APDE4APDE4B
SCHEMBL2467270 0.88 MET (0.53) METMEN1KMT2APDE4APDE4B
SCHEMBL2467459 0.88 MET (0.53) METMEN1KMT2APDE4APDE4B
SCHEMBL2469045 0.88 MET (0.44) METMEN1KMT2APDE4APDE4B
SCHEMBL2492883 0.86 MET (0.49) METMEN1KMT2APDE4APDE4B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 EP claimed