SCHEMBL5128098

SCHEMBL5128098

CN(CCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.79
▸ RAF1 P04049 1/20 0.73

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
SCHEMBL3041272 0.88 BRAF (0.72) BRAFRAF1
SCHEMBL3042504 0.87 BRAF (0.78) BRAFRAF1
SCHEMBL3034254 0.84 BRAF (1.00) BRAFRAF1
SCHEMBL4735381 0.82 BRAF (0.78) BRAFRAF1
SCHEMBL3029301 0.80 BRAF (0.73) BRAFRAF1
SCHEMBL3044655 0.77 BRAF (0.73) BRAFRAF1
SCHEMBL3037055 0.75 BRAF (1.00) BRAFRAF1
SCHEMBL4747175 0.75 BRAF (0.72) BRAFRAF1
SCHEMBL3033956 0.73 BRAF (1.00) BRAFRAF1
SCHEMBL5129995 0.73 BRAF (0.77) BRAFRAF1

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-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 — — WO disclosed
Send feedback