SCHEMBL6403848

SCHEMBL6403848

COc1cc(-c2ccc3c(c2)Nc2cc(C(C)(CCc4ccccn4)C(N)=O)ccc2NC3=O)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.64

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
SCHEMBL16712635 0.87 CHEK1 (0.60) CHEK1
SCHEMBL4880334 0.86 CHEK1 (0.67) CHEK1
SCHEMBL4883218 0.86 CHEK1 (0.67) CHEK1
SCHEMBL16712625 0.86 CHEK1 (0.71) CHEK1
SCHEMBL4886328 0.85 CHEK1 (0.67) CHEK1
SCHEMBL6412953 0.84 CHEK1 (0.61) CHEK1
SCHEMBL4887243 0.84 CHEK1 (0.63) CHEK1
SCHEMBL4856062 0.82 CHEK1 (0.68) CHEK1
SCHEMBL4882823 0.82 CHEK1 (0.65) CHEK1
SCHEMBL4889201 0.82 CHEK1 (0.63) 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-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP claimed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO claimed