SCHEMBL5024319

SCHEMBL5024319

CN(C)CCCNC(=O)c1ccc(-c2ccc3c(CN4CCOCC4)cc4c(c3c2)=C[N]C(=O)C=4)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 12/20 0.42
HPGD P15428 1/20 0.41
MTOR P42345 3/20 0.40
HPGDS O60760 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39

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
SCHEMBL5017849 0.80 SETD7 (0.44) HPGD
SCHEMBL4290123 0.78 CHEK1 (0.55) CD274HPGDMTORHPGDS
SCHEMBL5024099 0.74 HPGD (0.41) HPGD
SCHEMBL5017565 0.74 METAP2 (0.49) HPGD
SCHEMBL5017853 0.69 METAP2 (0.43)
SCHEMBL5025837 0.67 JAK2 (0.48) HPGD
SCHEMBL28576222 0.63 MAPK14 (0.55)
SCHEMBL10020214 0.63 HPGD (0.79) HPGD
SCHEMBL24061013 0.62 HPGD (0.65) HPGD
SCHEMBL5015640 0.62 ERN1 (0.45)

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-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP claimed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO claimed
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO disclosed