SCHEMBL5017698

SCHEMBL5017698

CSCCc1cc2cc[nH]c(=O)c2c2cc(Br)ccc12

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.72

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
SCHEMBL4287314 0.84 CHEK1 (1.00) CHEK1
SCHEMBL4300689 0.84 CHEK1 (1.00) CHEK1
SCHEMBL4291840 0.83 CHEK1 (1.00) CHEK1
SCHEMBL4297132 0.83 CHEK1 (1.00) CHEK1
SCHEMBL4291988 0.81 CHEK1 (1.00) CHEK1
SCHEMBL4290133 0.81 CHEK1 (0.79) CHEK1
SCHEMBL4292485 0.81 CHEK1 (1.00) CHEK1
SCHEMBL4287553 0.81 CHEK1 (1.00) CHEK1
SCHEMBL4289226 0.80 CHEK1 (0.67) CHEK1
SCHEMBL4294664 0.80 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
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO disclosed