SCHEMBL12184673

SCHEMBL12184673

CCOc1cc(CCNCc2ccc(F)cc2)c(Cl)cc1NC(=O)Nc1cnc(N)cn1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.79

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
SCHEMBL12184679 0.93 CHEK1 (0.78) CHEK1
SCHEMBL2595378 0.88 CHEK1 (1.00) CHEK1
SCHEMBL12184183 0.85 CHEK1 (0.79) CHEK1
SCHEMBL12184184 0.85 CHEK1 (0.77) CHEK1
SCHEMBL12184782 0.84 CHEK1 (0.79) CHEK1
SCHEMBL12184801 0.83 CHEK1 (0.76) CHEK1
SCHEMBL12184683 0.83 CHEK1 (0.78) CHEK1
SCHEMBL12184185 0.81 CHEK1 (0.78) CHEK1
SCHEMBL2596003 0.81 CHEK1 (1.00) CHEK1
SCHEMBL2596271 0.80 CHEK1 (1.00) 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