SCHEMBL7542450

SCHEMBL7542450

CC(Nc1nccc(-n2cnc3ccccc32)n1)C1CN(C(=O)OCc2ccccc2)CCO1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.77
IDH1 O75874 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
SCHEMBL7984542 0.87 LCK (1.00) LCKIDH1
SCHEMBL7596936 0.81 LCK (0.69) LCK
SCHEMBL7543704 0.81 LCK (0.69) LCK
SCHEMBL7596940 0.81 LCK (0.69) LCK
SCHEMBL7867885 0.81 LCK (0.69) LCK
SCHEMBL7984411 0.81 LCK (0.88) LCKIDH1
SCHEMBL7544230 0.81 LCK (0.76) LCK
SCHEMBL7021834 0.79 LCK (0.57) LCKIDH1
SCHEMBL7508722 0.79 LCK (0.91) LCK
SCHEMBL7504210 0.78 LCK (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP disclosed
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US disclosed
WO-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed