SCHEMBL14715581

SCHEMBL14715581

CCCCOC(=O)Oc1ccc2nnc(Cc3cccc(-c4ncc(Br)cn4)c3)n2n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.35
MAPT P10636 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL2452860 0.88 MET (0.40) MET
SCHEMBL2528823 0.87 MET (0.38) METMAPT
SCHEMBL14715596 0.85 MET (0.40) MET
SCHEMBL14715539 0.85 MET (0.39) MET
SCHEMBL12224215 0.81 MET (0.46) MET
SCHEMBL12224224 0.79 MET (0.38) METMAPT
SCHEMBL14724286 0.78 MET (0.38) METMAPT
SCHEMBL2458149 0.77 MET (0.44) MET
SCHEMBL2531125 0.77 MET (0.42) MET
SCHEMBL2529534 0.76 MET (0.45) 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-2367827-B1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4]TRIAZOLO [4,3-b]PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-02-27 EP claimed