SCHEMBL2466028

SCHEMBL2466028

CN1CCN(CCN(C(=O)O)c2cccc(Cn3nc(-c4ccc(F)c(F)c4)ccc3=O)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL2469433 0.95 MET (0.44) METMEN1KMT2ATSHRUSP2
SCHEMBL2466580 0.93 MET (0.44) METMEN1KMT2ATSHRUSP2
SCHEMBL2468866 0.93 MET (0.43) METMEN1KMT2ATSHRALDH1A1
SCHEMBL2469403 0.91 MET (0.51) METMEN1KMT2ATSHRUSP2
SCHEMBL2464470 0.91 MET (0.43) METMEN1KMT2ATSHRUSP2
SCHEMBL2472162 0.90 MET (0.52) METMEN1KMT2ATSHRALDH1A1
SCHEMBL2472113 0.89 MET (0.44) METMEN1KMT2ATSHRUSP2
SCHEMBL1950502 0.88 MET (0.45) METMEN1KMT2ATSHRUSP2
SCHEMBL2470373 0.86 MET (0.43) METMEN1KMT2ATSHRUSP2
SCHEMBL2470606 0.86 MET (0.53) METTSHRUSP2ALDH1A1L3MBTL1

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