SCHEMBL7972879

SCHEMBL7972879

CC(Nc1nccc(-n2cnc3ccccc32)n1)C1CCCN(C(=O)Cc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 1.00

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
SCHEMBL7991416 0.89 LCK (0.80) LCK
SCHEMBL7984542 0.88 LCK (1.00) LCK
Dimethylamine SCHEMBL7991420 0.87 LCK (0.84) LCK
SCHEMBL7594757 0.87 LCK (1.00) LCK
SCHEMBL7591203 0.86 LCK (1.00) LCK
SCHEMBL7986922 0.86 LCK (0.83) LCK
SCHEMBL7504117 0.85 LCK (1.00) LCK
SCHEMBL7546235 0.85 LCK (1.00) LCK
SCHEMBL7990610 0.84 LCK (0.74) LCK
SCHEMBL7985267 0.83 LCK (0.74) 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 2 patents. 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 claimed
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US disclosed