SCHEMBL27723936

SCHEMBL27723936

CC1CCC(Nc2ncc(C(N)=O)c3sc(-c4ccc(F)cc4)cc23)CN1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.84
KCNH2 Q12809 4/20 0.84

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
SCHEMBL27703348 0.92 CHEK1 (0.85) CHEK1KCNH2
SCHEMBL3075687 0.91 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3082469 0.87 CHEK1 (0.79) CHEK1KCNH2
SCHEMBL3064079 0.86 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL3076397 0.82 CHEK1 (0.84) CHEK1KCNH2
SCHEMBL3076401 0.82 CHEK1 (0.84) CHEK1KCNH2
SCHEMBL3076406 0.82 CHEK1 (0.84) CHEK1KCNH2
SCHEMBL27723952 0.80 CHEK1 (0.77) CHEK1KCNH2
SCHEMBL3086513 0.78 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL1901944 0.78 CHEK1 (1.00) 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