SCHEMBL20726459

SCHEMBL20726459

CC(C)=C1C(=O)Nc2cc(O)c(-c3ccc(C(N)CO)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.38
EGFR P00533 2/20 0.37
AKT1 P31749 1/20 0.37
BRD2 P25440 2/20 0.35
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL20726393 0.88 EGFR (0.39) BRD4EGFRAKT1BRD2AURKA
SCHEMBL20726441 0.85 EGFR (0.40) BRD4EGFRBRD2KDR
SCHEMBL20726416 0.78 ALOX5 (0.41) BRD4EGFRAURKAKDRAURKB
SCHEMBL20726384 0.77 PDE3B (0.50) BRD4EGFRKDR
SCHEMBL20726436 0.76 EGFR (0.39) BRD4EGFRAKT1BRD2AURKA
SCHEMBL20726366 0.76 NEK1 (0.42) BRD4EGFRAKT1
SCHEMBL20726370 0.72 ACMSD (0.42) BRD4EGFRBRD2AURKAKDR
SCHEMBL20726351 0.72 BRD4 (0.41) BRD4EGFR
SCHEMBL20726350 0.72 BRD4 (0.48) BRD4EGFRBRD2AURKB
SCHEMBL20726499 0.71 BRD4 (0.37) BRD4EGFRBRD2KDR

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-3083611-B1 OXINDOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE IN THE TREATMENT OF AMPK-RELATED DISEASES SANOFI SA (FR) 2019-02-13 EP disclosed