SCHEMBL2472162

SCHEMBL2472162

CN1CCN(CCN(C(=O)O)c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.52
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL1953412 0.95 MET (0.53) MET
SCHEMBL2472186 0.94 MET (0.52) MET
SCHEMBL2468076 0.93 MET (0.52) MET
SCHEMBL2468866 0.92 MET (0.43) METMEN1KMT2AALDH1A1TSHR
SCHEMBL2471207 0.91 MET (0.62) METTSHR
SCHEMBL2467247 0.91 MET (0.50) METMEN1KMT2AALDH1A1TSHR
SCHEMBL2466028 0.90 MET (0.45) METMEN1KMT2AALDH1A1TSHR
SCHEMBL2469731 0.88 MET (0.54) METMEN1KMT2AALDH1A1TSHR
SCHEMBL1950502 0.88 MET (0.45) METMEN1KMT2AALDH1A1TSHR
SCHEMBL1950831 0.87 MET (0.44) MET

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