SCHEMBL7547222

SCHEMBL7547222

CC(Nc1nccc(-n2cnc3cc(NC(=O)OC(C)(C)C)ccc32)n1)C1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.76
IDH1 O75874 1/20 0.47

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
SCHEMBL7549251 0.92 LCK (0.78) LCKIDH1
SCHEMBL7552112 0.91 LCK (0.80) LCKIDH1
SCHEMBL7551010 0.89 LCK (0.75) LCK
SCHEMBL7984542 0.86 LCK (1.00) LCKIDH1
SCHEMBL7586925 0.85 LCK (0.81) LCKIDH1
SCHEMBL7553602 0.84 LCK (0.76) LCK
SCHEMBL7984411 0.83 LCK (0.88) LCKIDH1
SCHEMBL7547241 0.82 LCK (0.67) LCKIDH1
SCHEMBL7590572 0.80 LCK (0.52) LCK
SCHEMBL7019734 0.80 LCK (0.71) LCKIDH1

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-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
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US disclosed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed