SCHEMBL5551243

SCHEMBL5551243

CCc1ccc2[nH]c(=O)c(-c3cc4cc(CN5CCC(CN)CC5)ccc4[nH]3)cc2c1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.82

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
SCHEMBL5547393 0.91 CHEK1 (0.80) CHEK1
SCHEMBL143237 0.90 CHEK1 (1.00) CHEK1
SCHEMBL14402837 0.89 CHEK1 (0.80) CHEK1
SCHEMBL5548469 0.87 CHEK1 (0.81) CHEK1
SCHEMBL5552872 0.87 CHEK1 (0.76) CHEK1
SCHEMBL14402831 0.87 CHEK1 (1.00) CHEK1
SCHEMBL5548386 0.83 CHEK1 (0.70) CHEK1
SCHEMBL5551287 0.82 CHEK1 (0.72) CHEK1
SCHEMBL14402851 0.78 CHEK1 (0.78) CHEK1
SCHEMBL5137424 0.78 CHEK1 (0.78) 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
WO-2007084135-A9 INHIBITORS OF CHECKPOINT KINASES MERCK & CO INC (US) 2007-10-11 WO disclosed
WO-2007084135-A9 INHIBITORS OF CHECKPOINT KINASES MERCK & CO INC (US) 2007-10-11 WO disclosed