SCHEMBL7589127

SCHEMBL7589127

CC(Nc1nccc(-n2cnc3ccc(NCC4CCCN4C(=O)OCc4ccccc4)cc32)n1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.57
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
IDH1 O75874 1/20 0.43

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
SCHEMBL7015401 1.00 LCK (0.57) LCKJAK2JAK3IDH1
SCHEMBL7013212 0.95 LCK (0.57) LCKJAK2JAK3IDH1
SCHEMBL7590193 0.95 LCK (0.57) LCKJAK2JAK3IDH1
SCHEMBL7018133 0.93 LCK (0.55) LCKJAK2JAK3IDH1
SCHEMBL7102009 0.93 LCK (0.55) LCKJAK2JAK3IDH1
SCHEMBL7018739 0.90 LCK (0.54) LCKJAK2JAK3IDH1
SCHEMBL7594881 0.90 LCK (0.54) LCKJAK2JAK3IDH1
SCHEMBL7018832 0.88 LCK (0.52) LCKIDH1
SCHEMBL7022521 0.87 LCK (0.56) LCKJAK2JAK3IDH1
SCHEMBL7588313 0.87 LCK (0.56) LCKJAK2JAK3IDH1

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