SCHEMBL6969983

SCHEMBL6969983

COc1cc[nH]c1/C=C1\C(=O)Nc2cccc(C#CCCC(=O)O)c21.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.54
CCNE1 P24864 18/20 0.52
CDK2 P24941 18/20 0.52
CCNE2 O96020 17/20 0.51
EGFR P00533 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL6969991 1.00 MAPK8 (0.54) MAPK8CCNE1CDK2CCNE2EGFR
SCHEMBL6978261 0.99 MAPK8 (0.55) MAPK8CCNE1CDK2CCNE2EGFR
SCHEMBL6978257 0.99 MAPK8 (0.55) MAPK8CCNE1CDK2CCNE2EGFR
SCHEMBL6969994 0.98 MAPK8 (0.54) MAPK8CCNE1CDK2CCNE2EGFR
SCHEMBL6978749 0.94 MAPK8 (0.56) MAPK8CCNE1CDK2CCNE2EGFR
SCHEMBL6978755 0.94 MAPK8 (0.56) MAPK8CCNE1CDK2CCNE2EGFR
SCHEMBL6969130 0.91 MAPK8 (0.54) MAPK8CCNE1CDK2CCNE2
SCHEMBL6968587 0.91 MAPK8 (0.54) MAPK8CCNE1CDK2CCNE2
SCHEMBL6968585 0.91 MAPK8 (0.54) MAPK8CCNE1CDK2CCNE2
SCHEMBL6969123 0.91 MAPK8 (0.54) MAPK8CCNE1CDK2CCNE2

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
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
US-6130239-A INHIBIT CYCLIN-DEPENDENT KINASES HOFFMANN-LA ROCHE INC. (US) 2000-10-10 US 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