SCHEMBL4690384

SCHEMBL4690384

COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(F)c21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.66
CDK2 P24941 20/20 0.66
CCNE2 O96020 2/20 0.65

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
SCHEMBL4690388 1.00 CCNE1 (0.66) CCNE1CDK2CCNE2
SCHEMBL6968207 0.88 CCNE1 (0.69) CCNE1CDK2CCNE2
SCHEMBL6972887 0.88 CCNE1 (0.69) CCNE1CDK2CCNE2
SCHEMBL6963579 0.87 CCNE1 (0.66) CCNE1CDK2CCNE2
SCHEMBL6963588 0.87 CCNE1 (0.66) CCNE1CDK2CCNE2
SCHEMBL7819667 0.85 CCNE1 (0.64) CCNE1CDK2CCNE2
SCHEMBL7819664 0.85 CCNE1 (0.64) CCNE1CDK2CCNE2
SCHEMBL7828450 0.84 CCNE1 (0.65) CCNE1CDK2CCNE2
SCHEMBL7828446 0.84 CCNE1 (0.65) CCNE1CDK2CCNE2
SCHEMBL14289874 0.82 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149106-B1 4,5-AZOLO-OXINDOLES HOFFMANN LA ROCHE (CH) 2003-03-19 EP claimed
EP-1149106-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1149105-B1 4,5-PYRAZINOXINDOLES AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
EP-1149106-B1 4,5-AZOLO-OXINDOLES HOFFMANN LA ROCHE (CH) 2003-03-19 EP disclosed
EP-1149106-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
EP-1149105-A1 4,5-PYRAZINOXINDOLES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6221867-B1 TREATING RHEUMATOID ARTHRITIS HOFFMANN-LA ROCHE INC. 2001-04-24 US disclosed
US-6197804-B1 KINASE INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-03-06 US disclosed
US-6153634-A FOR THERAPY AND PROPHYLAXIS OF CANCER TUMORS; INHIBITOR OFCYCLIN-DEPENDENT KINASES (CDKS) HOFFMANN-LA ROCHE INC. (US) 2000-11-28 US disclosed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
WO-2000035921-A1 4,5-PYRAZINOXINDOLES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed