SCHEMBL7502002

SCHEMBL7502002

CCN(c1nccc(-n2cnc3ccccc32)n1)C1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.66
MKNK2 Q9HBH9 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
IDH1 O75874 1/20 0.39

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
SCHEMBL7506273 0.91 LCK (0.67) LCKMKNK2MKNK1JAK2JAK1
SCHEMBL7505588 0.86 LCK (0.62) LCKMKNK2MKNK1IDH1
SCHEMBL7571215 0.83 LCK (0.60) LCKMKNK2MKNK1IDH1
SCHEMBL7505733 0.82 LCK (0.54) LCKMKNK2MKNK1
SCHEMBL7507614 0.80 LCK (0.56) LCKMKNK2MKNK1
SCHEMBL7984542 0.80 LCK (1.00) LCKIDH1
SCHEMBL7579034 0.80 LCK (0.57) LCKMKNK2MKNK1
SCHEMBL7506412 0.80 MKNK1 (0.50) LCKMKNK2MKNK1
SCHEMBL7505976 0.79 LCK (0.43) LCKMKNK2MKNK1
SCHEMBL7504210 0.79 LCK (1.00) LCKMKNK2MKNK1

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-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 EP disclosed
EP-1206260-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed