SCHEMBL20726436

SCHEMBL20726436

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
BRD4 O60885 10/20 0.35
AKT1 P31749 1/20 0.33
KDR P35968 2/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
BRD2 P25440 2/20 0.32
CHEK1 O14757 2/20 0.32
PDPK1 O15530 3/20 0.31

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
SCHEMBL20726366 0.77 NEK1 (0.42) EGFRBRD4AKT1
SCHEMBL20726459 0.76 BRD4 (0.38) EGFRBRD4AKT1KDRAURKA
SCHEMBL20726393 0.76 EGFR (0.39) EGFRBRD4AKT1KDRAURKA
SCHEMBL20726416 0.76 ALOX5 (0.41) EGFRBRD4KDRAURKAAURKB
SCHEMBL20726384 0.75 PDE3B (0.50) EGFRBRD4KDR
SCHEMBL20726441 0.75 EGFR (0.40) EGFRBRD4KDRBRD2PDPK1
SCHEMBL20726351 0.71 BRD4 (0.41) EGFRBRD4CHEK1
SCHEMBL20726370 0.71 ACMSD (0.42) EGFRBRD4KDRAURKAAURKB
SCHEMBL20726350 0.70 BRD4 (0.48) EGFRBRD4AURKBBRD2CHEK1
SCHEMBL20726406 0.70 EGFR (0.35) EGFRBRD4AKT1KDR

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