SCHEMBL20726451

SCHEMBL20726451

C/C(OF)=C1\C(=O)Nc2cc(O)c(-c3ccc(C)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CHEK1 O14757 4/20 0.35
BRD4 O60885 3/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
KDR P35968 2/20 0.34
PON1 P27169 1/20 0.34
AURKB Q96GD4 2/20 0.34
AURKA O14965 1/20 0.34
WEE1 P30291 1/20 0.33
PDPK1 O15530 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
ABL1 P00519 1/20 0.33
PIM1 P11309 1/20 0.33
LTK P29376 1/20 0.33
MAPK8 P45983 1/20 0.33
CDK8 P49336 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
SCHEMBL20726427 0.88 BRD4 (0.42) EGFRCHEK1BRD4MAOAMAOB
SCHEMBL20726403 0.82 CYP3A4 (0.38) EGFRCHEK1BRD4
SCHEMBL20726420 0.81 PBK (0.39) EGFRCHEK1MAOAMAOBKDR
SCHEMBL20726478 0.81 AURKA (0.39) EGFRCHEK1KDRAURKBAURKA
SCHEMBL20726356 0.80 PDE3B (0.35) EGFRPDE3BPDE3ACHEK1BRD4
SCHEMBL20726364 0.78 GPR84 (0.34) EGFRKDRAURKBAURKA
SCHEMBL20726521 0.77 NEK1 (0.31) EGFR
SCHEMBL20726384 0.71 PDE3B (0.50) EGFRPDE3BPDE3ABRD4KDR
SCHEMBL20726441 0.71 EGFR (0.40) EGFRBRD4KDRPDPK1PIM1
SCHEMBL20726381 0.70 PGR (0.43) EGFRBRD4KDRPDPK1CDK8

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