SCHEMBL6971140

SCHEMBL6971140

COc1cc[nH]c1C=C1C(=O)Nc2ccc(F)c(C#CC3(O)CCNCC3)c21

nearest known ligand 0.98

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 20/20 0.98
CCNE1 P24864 20/20 0.98
CDK2 P24941 20/20 0.98

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
SCHEMBL6971130 1.00 CCNE2 (0.98) CCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL6979092 0.99 CCNE2 (1.00) CCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL6979102 0.99 CCNE2 (1.00) CCNE2CCNE1CDK2
SCHEMBL6975212 0.95 CCNE2 (0.89) CCNE2CCNE1CDK2
SCHEMBL6975220 0.95 CCNE2 (0.89) CCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL6966198 0.94 CCNE2 (0.90) CCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL6966184 0.94 CCNE2 (0.90) CCNE2CCNE1CDK2
SCHEMBL6976110 0.93 CCNE2 (0.85) CCNE2CCNE1CDK2
SCHEMBL6976112 0.93 CCNE2 (0.85) CCNE2CCNE1CDK2
SCHEMBL6978398 0.90 CCNE2 (1.00) CCNE2CCNE1CDK2

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