SCHEMBL20726366

SCHEMBL20726366

CC(C)=C1C(=O)Nc2cc(O)c(-c3ccc(C4(CN)CC4)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 6/20 0.42
PBK Q96KB5 3/20 0.41
EGFR P00533 2/20 0.36
BRD4 O60885 2/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 5/20 0.35
SLC6A2 P23975 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
AKT1 P31749 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
SCHEMBL20726420 0.88 PBK (0.39) NEK1PBKEGFRSLC6A4SLC6A3
SCHEMBL20726406 0.84 EGFR (0.35) NEK1PBKEGFRBRD4AKT1
SCHEMBL20726365 0.83 PBK (0.41) NEK1PBKSLC6A4SLC6A3SLC6A2
SCHEMBL20726444 0.82 EGFR (0.34) NEK1PBKEGFRBRD4
SCHEMBL20726354 0.81 PRKAB2 (0.41) NEK1PBKSLC6A4SLC6A3SLC6A2
SCHEMBL20726459 0.76 BRD4 (0.38) EGFRBRD4AKT1
SCHEMBL20726416 0.76 ALOX5 (0.41) EGFRBRD4MAOAMAOB
SCHEMBL20726393 0.76 EGFR (0.39) EGFRBRD4AKT1
SCHEMBL20726384 0.75 PDE3B (0.50) EGFRBRD4
SCHEMBL20726441 0.75 EGFR (0.40) EGFRBRD4

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