SCHEMBL20726429

SCHEMBL20726429

C=C1C(=O)Nc2cc(O)c(-c3ccc(N4CCOCC4)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.44
PDGFRB P09619 1/20 0.43
PRKDC P78527 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KIF11 P52732 1/20 0.40
CSF1R P07333 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
ABL1 P00519 2/20 0.39
XDH P47989 1/20 0.39
RPS6KA3 P51812 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
CNR2 P34972 1/20 0.39
USP8 P40818 1/20 0.38

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
SCHEMBL20726481 0.90 ERBB2 (0.40) CHEK1KIF11MAPTALDH1A1USP8
SCHEMBL20726482 0.89 ERBB2 (0.42) CHEK1KIF11MAPTALDH1A1USP8
SCHEMBL20726412 0.82 PRKDC (0.43) CHEK1PDGFRBPRKDCPIK3CDPIK3CA
SCHEMBL20726519 0.81 CHRM5 (0.34) CHEK1
SCHEMBL20726369 0.79 KDR (0.40) CHEK1PDGFRBCSF1RABL1RPS6KA3
SCHEMBL20726443 0.77 APP (0.44) CHEK1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20726434 0.77 ERBB2 (0.39) CHEK1MAPTALDH1A1PRKAB2PRKAG1
SCHEMBL20726485 0.76 ERCC1 (0.40) CHEK1MAPTKDM4EALDH1A1
SCHEMBL20726349 0.76 ERBB2 (0.41) CHEK1MAPTALDH1A1PRKAB2PRKAG1
SCHEMBL20726454 0.76 PDE3B (0.46) CHEK1KIF11MAPTKDM4EALDH1A1

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