SCHEMBL2456478

SCHEMBL2456478

Cc1cnc(-c2cccc(Cc3nnc4ccc(OC(=O)NCCO)nn34)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.39
MET P08581 10/20 0.36
CAMK2D Q13557 1/20 0.35

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
SCHEMBL14715654 0.89 MET (0.38) FYNMETCAMK2D
SCHEMBL2532173 0.87 FYN (0.43) FYNMETCAMK2D
SCHEMBL2452496 0.84 MET (0.40) FYNMET
SCHEMBL14715539 0.82 MET (0.39) FYNMET
SCHEMBL2456961 0.82 MET (0.38) FYNMET
SCHEMBL12224223 0.80 MET (0.43) FYNMET
SCHEMBL2452860 0.79 MET (0.40) FYNMET
SCHEMBL14715546 0.79 MET (0.41) FYNMET
SCHEMBL12245542 0.79 FYN (0.49) FYNCAMK2D
SCHEMBL12224229 0.78 SMN1; SMN2 (0.48) 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 4 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 claimed
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