SCHEMBL6966246

SCHEMBL6966246

COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.76
CCNE1 P24864 6/20 0.76
CCNE2 O96020 2/20 0.74
PLK4 O00444 3/20 0.61
PLK1 P53350 1/20 0.58
RET P07949 1/20 0.58
PDPK1 O15530 1/20 0.55
RPS6KA3 P51812 1/20 0.53
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
HSP90AA1 P07900 1/20 0.51
PDGFRB P09619 2/20 0.50
KDR P35968 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FGFR1 P11362 1/20 0.50

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
SCHEMBL6966253 1.00 CDK2 (0.76) CDK2CCNE1CCNE2PLK4PLK1
SCHEMBL5477365 0.85 CCNE1 (0.76) CDK2CCNE1CCNE2RETRPS6KA3
SCHEMBL5477361 0.85 CCNE1 (0.76) CDK2CCNE1CCNE2RETRPS6KA3
SCHEMBL5470703 0.83 CCNE1 (1.00) CDK2CCNE1CCNE2RETPDPK1
SCHEMBL5470701 0.83 CCNE1 (1.00) CDK2CCNE1CCNE2RETPDPK1
SCHEMBL6957524 0.82 CCNE1 (0.71) CDK2CCNE1CCNE2RETPDPK1
SCHEMBL6957516 0.82 CCNE1 (0.71) CDK2CCNE1CCNE2RETPDPK1
SCHEMBL6963391 0.82 CCNE1 (0.67) CDK2CCNE1CCNE2RETPDPK1
SCHEMBL6970892 0.82 CCNE1 (0.67) CDK2CCNE1CCNE2RETPDPK1
SCHEMBL24191826 0.81 PDPK1 (0.54) CDK2CCNE1CCNE2PLK4PLK1

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-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP claimed
CN-1331689-A 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles HOFFMANN LA ROCHE (CH) 2002-01-16 CN claimed
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 claimed
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
CN-1331689-A 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles HOFFMANN LA ROCHE (CH) 2002-01-16 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
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed