SCHEMBL2593455

SCHEMBL2593455

C[C@H](NCCc1ccc(NC(=O)Nc2cnc(C#N)cn2)cc1)c1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.75

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
SCHEMBL2593451 0.89 CHEK1 (0.73) CHEK1
SCHEMBL2595472 0.86 CHEK1 (1.00) CHEK1
SCHEMBL2595464 0.86 CHEK1 (1.00) CHEK1
SCHEMBL2593369 0.85 CHEK1 (1.00) CHEK1
SCHEMBL14762721 0.85 CHEK1 (1.00) CHEK1
SCHEMBL2595489 0.84 CHEK1 (1.00) CHEK1
SCHEMBL2595363 0.78 CHEK1 (1.00) CHEK1
SCHEMBL2595381 0.76 CHEK1 (1.00) CHEK1
SCHEMBL2593320 0.75 CHEK1 (1.00) CHEK1
SCHEMBL2595561 0.75 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 WO disclosed