SCHEMBL6979043

SCHEMBL6979043

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.57
CDK2 P24941 19/20 0.57
MAPK8 P45983 1/20 0.57
CCNE2 O96020 16/20 0.55

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
SCHEMBL6979054 1.00 CCNE1 (0.57) CCNE1CDK2MAPK8CCNE2
Trifluoroacetic Acid SCHEMBL6979233 0.92 CCNE1 (0.53) CCNE1CDK2MAPK8CCNE2
Trifluoroacetic Acid SCHEMBL6978751 0.92 CCNE1 (0.53) CCNE1CDK2MAPK8CCNE2
SCHEMBL6974884 0.90 CCNE1 (0.57) CCNE1CDK2MAPK8CCNE2
SCHEMBL6974877 0.90 CCNE1 (0.57) CCNE1CDK2MAPK8CCNE2
SCHEMBL6972263 0.90 MAPK8 (0.59) CCNE1CDK2MAPK8CCNE2
SCHEMBL6972273 0.90 MAPK8 (0.59) CCNE1CDK2MAPK8CCNE2
SCHEMBL6976292 0.89 CCNE1 (0.70) CCNE1CDK2MAPK8CCNE2
SCHEMBL6976285 0.89 CCNE1 (0.70) CCNE1CDK2MAPK8CCNE2
SCHEMBL6967656 0.88 MAPK8 (0.57) CCNE1CDK2MAPK8CCNE2

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 1 patent. 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