SCHEMBL2452860

SCHEMBL2452860

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.40
TRPC5 Q9UL62 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
FYN P06241 2/20 0.33

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
SCHEMBL14715539 0.91 MET (0.39) METCYP4F2CYP4A11FYN
SCHEMBL14715596 0.90 MET (0.40) METFYN
SCHEMBL14715581 0.88 MET (0.35) MET
SCHEMBL12224215 0.88 MET (0.46) MET
SCHEMBL2529553 0.86 MET (0.42) METCYP4F2CYP4A11
SCHEMBL2529534 0.82 MET (0.45) METFYN
SCHEMBL2458149 0.81 MET (0.44) MET
SCHEMBL2531125 0.81 MET (0.42) METFYN
SCHEMBL12730591 0.80 MET (0.43) MET
SCHEMBL14715546 0.80 MET (0.41) METFYN

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 3 patents. 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 disclosed
EP-2367827-A1 3-(3-PYRIMIDINE-2-YL-BENZYL)-Ý1,2,4¨TRIAZOLO Ý4,3-B¨PYRIDAZINE DERIVATIVES Merck Patent GmbH (DE) 2011-09-28 EP disclosed
WO-2010072301-A1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4] TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-01 WO disclosed