SCHEMBL7984441

SCHEMBL7984441

CCCC(NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)ncn2-c1ccnc(NC(C)C2CCCN(C(=O)Nc3cccc4ccccc34)C2)n1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.64

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
SCHEMBL7555283 0.87 LCK (0.62) LCK
SCHEMBL7648538 0.84 LCK (0.78) LCK
SCHEMBL7555286 0.83 LCK (0.53) LCK
SCHEMBL7648532 0.82 LCK (0.75) LCK
SCHEMBL7553602 0.81 LCK (0.76) LCK
SCHEMBL7648535 0.81 LCK (0.75) LCK
SCHEMBL7513844 0.79 LCK (0.84) LCK
SCHEMBL7503485 0.79 LCK (1.00) LCK
SCHEMBL7588990 0.78 LCK (0.72) LCK
SCHEMBL7569953 0.78 LCK (0.81) 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