SCHEMBL6977014

SCHEMBL6977014

C#CC(NCC(C)O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
ADRB2 P07550 9/20 0.32
ADRB1 P08588 9/20 0.32
ADRB3 P13945 9/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL7822610 0.81 CTSK (0.33) CA1CA2CA7CTSSCTSK
SCHEMBL1743765 0.78 DGAT1 (0.34) CA1CA2CA7CTSK
SCHEMBL16967740 0.78 MEN1 (0.33) CA1CA2CA7CTSSCTSK
SCHEMBL3177194 0.78 MEN1 (0.33) CA1CA2CA7CTSSCTSK
SCHEMBL3161545 0.78 MEN1 (0.33) CA1CA2CA7CTSSCTSK
SCHEMBL1278864 0.78 PTPRC (0.33) CYP2D6CA1CA2CA7CTSS
SCHEMBL3174619 0.77 CA12 (0.41) CA2
SCHEMBL3171186 0.76 NLRP3 (0.32) CYP2D6CA1CA2CA7
SCHEMBL3181180 0.75 PPARG (0.33) CYP2D6CTSSCTSK
SCHEMBL3177400 0.74 GAA (0.39) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157019-B1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 HOFFMANN LA ROCHE (CH) 2003-03-19 EP claimed
EP-1157019-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2001-11-28 EP claimed
WO-2000035908-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1157019-B1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 HOFFMANN LA ROCHE (CH) 2003-03-19 EP disclosed
CN-1330647-A 4-alkenyl (and alkynyl) oxindoles as inhibitors of cell cycle protein dependent kinases, in particular CDK2 HOFFMANN LA ROCHE (CH) 2002-01-09 CN disclosed
EP-1157019-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2001-11-28 EP disclosed
US-6303793-B1 INTERMEDIATES FOR CYCLIN-DEPENDENT KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-10-16 US disclosed
US-6252086-B1 CYCLIN-DEPENDENT KINASES INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-06-26 US disclosed
US-6130239-A INHIBIT CYCLIN-DEPENDENT KINASES HOFFMANN-LA ROCHE INC. (US) 2000-10-10 US disclosed
WO-2000035908-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed