SCHEMBL6957709

SCHEMBL6957709

O=C1Cc2c(ccc([N+](=O)[O-])c2Br)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.45
CCNB2 O95067 10/20 0.45
CDK1 P06493 10/20 0.45
CCNB1 P14635 10/20 0.45
CDK5 Q00535 10/20 0.45
CDK5R1 Q15078 10/20 0.45
CCNB3 Q8WWL7 10/20 0.45
SRC P12931 3/20 0.40
FLT4 P35916 3/20 0.40
CDC7 O00311 2/20 0.40
PLK4 O00444 2/20 0.40
PDPK1 O15530 2/20 0.40
ROCK2 O75116 2/20 0.40
CHEK2 O96017 2/20 0.40
CCNE2 O96020 2/20 0.40
ABL1 P00519 2/20 0.40
CSF1R P07333 2/20 0.40
LYN P07948 2/20 0.40
PIM1 P11309 2/20 0.40
CCNA2 P20248 2/20 0.40

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
SCHEMBL4689771 0.81 GSK3B (0.40) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL5358791 0.81 POLB (0.48) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL6970909 0.81 GSK3B (0.40) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL31108692 0.77 PGR (0.48) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL260802 0.77 PGR (0.48) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL11514244 0.75 AHR (0.43) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL23234901 0.73 AHR (0.41) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL19235316 0.73 AHR (0.41) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL31528187 0.73 AHR (0.41) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL18289479 0.72 AHR (0.50) GSK3BCCNB2CDK1CCNB1CDK5

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1138773-C 4-alkenyl (and alkynyl) oxindoles as inhibitors of cell cycle protein dependent kinases, in particular CDK2 - 2004-02-18 CN 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 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
US-6303793-B1 INTERMEDIATES FOR CYCLIN-DEPENDENT KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-10-16 US 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
CN-1147486-C 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles - 2004-04-28 CN disclosed
CN-1138773-C 4-alkenyl (and alkynyl) oxindoles as inhibitors of cell cycle protein dependent kinases, in particular CDK2 - 2004-02-18 CN disclosed
CN-1136217-C 4-aryloxindoles as inhibitor of JNK protein kinases - 2004-01-28 CN disclosed
EP-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
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
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
US-6307056-B1 INHIBIT OR MODULATE PROTEIN KINASES, IN PARTICULAR JNK PROTEIN KINASES. HOFFMAN-LA ROCHE INC. 2001-10-23 US 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-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO 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
WO-2000035909-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed