SCHEMBL7592969

SCHEMBL7592969

CC(Nc1nccc(-n2cnc3cc(NCC4CCCN4C)ccc32)n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.60
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52

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
SCHEMBL7017896 1.00 LCK (0.60) LCKJAK2JAK3
SCHEMBL7016769 0.91 LCK (0.59) LCKJAK2JAK3
SCHEMBL7639883 0.90 LCK (0.58) LCKJAK2JAK3
SCHEMBL7023868 0.90 LCK (0.58) LCKJAK2JAK3
SCHEMBL7024813 0.89 LCK (0.57) LCKJAK2JAK3
SCHEMBL7021601 0.89 LCK (0.57) LCKJAK2JAK3
SCHEMBL7552175 0.87 LCK (0.64) LCKJAK2JAK3
SCHEMBL7021368 0.87 LCK (0.64) LCKJAK2JAK3
SCHEMBL7018400 0.85 LCK (0.52) LCKJAK2JAK3
SCHEMBL7590193 0.84 LCK (0.57) LCKJAK2JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed