SCHEMBL20726420

SCHEMBL20726420

C/C(OF)=C1\C(=O)Nc2cc(O)c(-c3ccc(C4(CN)CC4)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 3/20 0.39
NEK1 Q96PY6 6/20 0.37
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
EGFR P00533 2/20 0.33
SLC6A2 P23975 2/20 0.32
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CHEK1 O14757 1/20 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 0.88 NEK1 (0.42) PBKNEK1SLC6A4SLC6A3EGFR
SCHEMBL20726451 0.81 EGFR (0.39) EGFRAURKAKDRAURKBMAOA
SCHEMBL20726427 0.80 BRD4 (0.42) EGFRKDRMAOAMAOBCHEK1
SCHEMBL20726365 0.79 PBK (0.41) PBKNEK1SLC6A4SLC6A3SLC6A2
SCHEMBL20726354 0.77 PRKAB2 (0.41) PBKNEK1SLC6A4SLC6A3SLC6A2
SCHEMBL20726403 0.76 CYP3A4 (0.38) EGFRCHEK1
SCHEMBL20726478 0.75 AURKA (0.39) EGFRAURKAKDRAURKBCHEK1
SCHEMBL20726406 0.75 EGFR (0.35) PBKNEK1EGFRKDR
SCHEMBL20726356 0.74 PDE3B (0.35) EGFRCHEK1
SCHEMBL20726419 0.72 KDR (0.31) KDRCHEK1

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