SCHEMBL6972887

SCHEMBL6972887

COc1cc[nH]c1C=C1C(=O)Nc2ccc([N+](=O)[O-])c(I)c21

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.69
CDK2 P24941 20/20 0.69
CCNE2 O96020 1/20 0.69

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
SCHEMBL6968207 1.00 CCNE1 (0.69) CCNE1CDK2CCNE2
SCHEMBL4690388 0.88 CCNE1 (0.66) CCNE1CDK2CCNE2
SCHEMBL6963579 0.88 CCNE1 (0.66) CCNE1CDK2CCNE2
SCHEMBL6963588 0.88 CCNE1 (0.66) CCNE1CDK2CCNE2
SCHEMBL4690384 0.88 CCNE1 (0.66) CCNE1CDK2CCNE2
SCHEMBL7819667 0.86 CCNE1 (0.64) CCNE1CDK2CCNE2
SCHEMBL7819664 0.86 CCNE1 (0.64) CCNE1CDK2CCNE2
SCHEMBL7828446 0.85 CCNE1 (0.65) CCNE1CDK2CCNE2
SCHEMBL7828450 0.85 CCNE1 (0.65) CCNE1CDK2CCNE2
SCHEMBL14289874 0.83 CCNE1 (0.60) CCNE1CDK2CCNE2

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 9 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
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 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-1331689-A 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles HOFFMANN LA ROCHE (CH) 2002-01-16 CN 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