SCHEMBL7867787

SCHEMBL7867787

C[C@H](Nc1nccc(-n2cnc3cc(-c4ccncc4)ccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc23)CCN1C

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
SCHEMBL7539233 1.00 LCK (1.00) LCK
SCHEMBL7542545 0.93 LCK (0.88) LCK
SCHEMBL7874599 0.92 LCK (0.84) LCK
SCHEMBL7541451 0.90 LCK (0.81) LCK
SCHEMBL7543040 0.90 LCK (1.00) LCK
SCHEMBL7867882 0.90 LCK (1.00) LCK
SCHEMBL7544102 0.90 LCK (0.82) LCK
SCHEMBL7874530 0.90 LCK (1.00) LCK
SCHEMBL7495391 0.90 LCK (1.00) LCK
SCHEMBL7569953 0.89 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-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US disclosed