SCHEMBL14724340

SCHEMBL14724340

Bc1cnc(-c2cccc(Cc3nnc4ccc(C(=O)OC)nn34)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.42
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL12224264 0.91 MET (0.43) METCYP4F2CYP4A11
SCHEMBL12224223 0.91 MET (0.43) METCYP4F2CYP4A11
SCHEMBL2529553 0.90 MET (0.42) METCYP4F2CYP4A11
SCHEMBL14724301 0.90 MET (0.44) MET
SCHEMBL14724286 0.89 MET (0.38) MET
SCHEMBL12224263 0.87 MET (0.43) MET
SCHEMBL12224262 0.84 MET (0.38) MET
SCHEMBL12224253 0.82 MET (0.50) MET
SCHEMBL12224222 0.81 MET (0.42) MET
SCHEMBL12245314 0.81 MET (0.42) 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 disclosed