SCHEMBL20726384

SCHEMBL20726384

CC(C)=C1C(=O)Nc2cc(O)c(-c3ccc(-c4ccncc4)cc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
CDC7 O00311 4/20 0.47
CDK2 P24941 3/20 0.47
ROCK2 O75116 2/20 0.47
MAP4K4 O95819 2/20 0.47
GSK3B P49841 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
IRAK4 Q9NWZ3 2/20 0.47
PRKACA P17612 1/20 0.47
EGFR P00533 2/20 0.40
BRD4 O60885 4/20 0.39
QDPR P09417 1/20 0.38
ERN1 O75460 1/20 0.36
ROCK1 Q13464 2/20 0.36
DBF4 Q9UBU7 2/20 0.36
CCNE1 P24864 1/20 0.36
COMT P21964 1/20 0.36
CHUK O15111 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL20726441 0.81 EGFR (0.40) EGFRBRD4KDR
SCHEMBL20726416 0.79 ALOX5 (0.41) EGFRBRD4KDR
SCHEMBL20726393 0.79 EGFR (0.39) EGFRBRD4KDR
SCHEMBL20726459 0.77 BRD4 (0.38) EGFRBRD4KDR
SCHEMBL20726370 0.76 ACMSD (0.42) EGFRBRD4KDR
SCHEMBL20726351 0.76 BRD4 (0.41) EGFRBRD4
SCHEMBL20726366 0.75 NEK1 (0.42) EGFRBRD4
SCHEMBL20726436 0.75 EGFR (0.39) EGFRBRD4KDR
SCHEMBL9831955 0.74 PDE3B (0.53) PDE3BPDE3A
SCHEMBL20726381 0.72 PGR (0.43) EGFRBRD4KDR

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