SCHEMBL6970909

SCHEMBL6970909

O=C1Cc2c(ccc([N+](=O)[O-])c2I)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.40
CDK5 Q00535 10/20 0.40
CDK5R1 Q15078 10/20 0.40
CCNB2 O95067 9/20 0.40
CDK1 P06493 9/20 0.40
CCNB1 P14635 9/20 0.40
CCNB3 Q8WWL7 9/20 0.40
SRC P12931 2/20 0.40
FLT4 P35916 2/20 0.40
GSK3A P49840 2/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
IKBKB O14920 1/20 0.40
PDPK1 O15530 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
CHEK2 O96017 1/20 0.40
CCNE2 O96020 1/20 0.40
ABL1 P00519 1/20 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
SCHEMBL6957709 0.81 GSK3B (0.45) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL5358791 0.81 POLB (0.48) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL4689771 0.81 GSK3B (0.40) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL260802 0.77 PGR (0.48) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL31108692 0.77 PGR (0.48) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL3136744 0.73 AHR (0.41) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL18289479 0.72 AHR (0.50) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL9483715 0.70 GPR35 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12559695 0.70 POLB (0.42) POLBGABRA1GABRG2GABRB3GABRA5
SCHEMBL5789641 0.68 GPR35 (0.44) GSK3BCDK5CDK5R1CCNB2CDK1

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 18 patents. 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
US-6303793-B1 INTERMEDIATES FOR CYCLIN-DEPENDENT KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-10-16 US 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-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP 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