SCHEMBL27723937

SCHEMBL27723937

NC(=O)c1cnc(NC2CCNCC2O)c2cc(-c3ccsc3)sc12

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.78
KCNH2 Q12809 3/20 0.78

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
SCHEMBL27703359 0.93 CHEK1 (0.79) CHEK1KCNH2
SCHEMBL27723942 0.89 CHEK1 (0.74) CHEK1KCNH2
SCHEMBL4353896 0.89 CHEK1 (0.86) CHEK1KCNH2
SCHEMBL3069698 0.88 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3064124 0.84 CHEK1 (0.79) CHEK1KCNH2
SCHEMBL3064132 0.84 CHEK1 (0.79) CHEK1KCNH2
SCHEMBL3064129 0.84 CHEK1 (0.79) CHEK1KCNH2
SCHEMBL3083529 0.83 CHEK1 (0.79) CHEK1KCNH2
SCHEMBL4349276 0.81 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3082469 0.79 CHEK1 (0.79) CHEK1KCNH2

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
CN-101189243-A Substituted heterocycles and their use as CHK1, PDK1 and PAK inhibitors ASTRAZENECA AB (SE) 2008-05-28 CN disclosed