SCHEMBL7873116

SCHEMBL7873116

CC(Nc1nccc(-n2cnc3ccccc32)n1)C1CN(C(=O)Nc2cccc3ccccc23)CCN1Cc1ccncc1

nearest known ligand 0.92

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.92

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
SCHEMBL7873117 1.00 LCK (0.92) LCK
SCHEMBL7551486 0.96 LCK (1.00) LCK
SCHEMBL7873113 0.91 LCK (1.00) LCK
SCHEMBL7873114 0.91 LCK (1.00) LCK
SCHEMBL7495391 0.88 LCK (1.00) LCK
SCHEMBL7874530 0.88 LCK (1.00) LCK
SCHEMBL7868000 0.87 LCK (1.00) LCK
SCHEMBL7868003 0.87 LCK (1.00) LCK
SCHEMBL7496520 0.85 LCK (1.00) LCK
SCHEMBL7544896 0.84 LCK (0.79) 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-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US disclosed