SCHEMBL7983439

SCHEMBL7983439

CC(Nc1nccc(-n2cnc3ccccc32)n1)C1CCCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.83

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
SCHEMBL7504117 0.91 LCK (1.00) LCK
SCHEMBL7986922 0.86 LCK (0.83) LCK
SCHEMBL7570535 0.84 LCK (0.59) LCK
SCHEMBL7594757 0.82 LCK (1.00) LCK
Dimethylamine SCHEMBL7991420 0.82 LCK (0.84) LCK
SCHEMBL7984542 0.81 LCK (1.00) LCK
SCHEMBL7505733 0.81 LCK (0.54) LCK
SCHEMBL7986973 0.80 LCK (0.85) LCK
SCHEMBL7546235 0.80 LCK (1.00) LCK
SCHEMBL7591203 0.80 LCK (1.00) LCK

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
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US disclosed