SCHEMBL12184656

SCHEMBL12184656

Nc1cnc(NC(=O)Nc2ccc(OCCNCc3ccc(F)cc3)c(Cl)c2)cn1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.77

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
SCHEMBL2593310 0.87 CHEK1 (1.00) CHEK1
SCHEMBL12184801 0.85 CHEK1 (0.76) CHEK1
SCHEMBL12184776 0.80 CHEK1 (0.72) CHEK1
SCHEMBL12184777 0.80 CHEK1 (0.76) CHEK1
SCHEMBL12184648 0.78 CHEK1 (0.75) CHEK1
SCHEMBL12184666 0.78 CHEK1 (0.60) CHEK1
SCHEMBL12184659 0.78 CHEK1 (0.76) CHEK1
SCHEMBL12184821 0.77 CHEK1 (0.75) CHEK1
SCHEMBL12184679 0.77 CHEK1 (0.78) CHEK1
SCHEMBL12184663 0.76 CHEK1 (0.77) CHEK1

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
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 WO disclosed