SCHEMBL6595635

SCHEMBL6595635

O=C(O)c1cc2c(cc1Br)NC(=O)C2c1ncnc2cc(OCCCN3CCOCC3)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.68
AURKA O14965 4/20 0.46
AURKB Q96GD4 3/20 0.46
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
BRAF P15056 3/20 0.41
KDR P35968 2/20 0.41
EGFR P00533 1/20 0.41
TNNI3K Q59H18 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
CSF1R P07333 1/20 0.40
KIT P10721 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
SRC P12931 2/20 0.40

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
SCHEMBL4508071 0.91 CHEK1 (0.64) CHEK1AURKAAURKBBRAFKDR
SCHEMBL4510546 0.86 CHEK1 (0.78) CHEK1AURKAAURKBBRAFKDR
SCHEMBL7206444 0.83 CHEK1 (0.77) CHEK1AURKAAURKBBRAFKDR
SCHEMBL6372123 0.83 CHEK1 (0.78) CHEK1AURKAAURKBBRAFKDR
SCHEMBL7210129 0.82 CHEK1 (0.75) CHEK1AURKAAURKBBRAFKDR
Hydrochloric Acid SCHEMBL4518548 0.82 CHEK1 (0.77) CHEK1AURKAAURKBBRAFKDR
Hydrochloric Acid SCHEMBL4504657 0.82 CHEK1 (0.77) CHEK1AURKAAURKBBRAFKDR
SCHEMBL4495037 0.81 CHEK1 (0.65) CHEK1AURKAAURKBBRAFKDR
SCHEMBL4507987 0.81 CHEK1 (0.65) CHEK1AURKAAURKBBRAFKDR
Hydrochloric Acid SCHEMBL5499449 0.81 CHEK1 (0.71) CHEK1AURKAAURKBBRAFKDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO claimed
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO disclosed