SCHEMBL5129995

SCHEMBL5129995

CN(C)CCc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.77
▸ RAF1 P04049 1/20 0.56

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
SCHEMBL3034030 0.84 BRAF (0.68) BRAFRAF1
SCHEMBL4747175 0.82 BRAF (0.72) BRAFRAF1
SCHEMBL5133168 0.81 BRAF (0.84) BRAFRAF1
SCHEMBL17047495 0.81 BRAF (0.63) BRAFRAF1
SCHEMBL3030257 0.80 BRAF (0.68) BRAF
SCHEMBL3037785 0.80 BRAF (0.68) BRAF
SCHEMBL5132890 0.79 BRAF (0.61) BRAFRAF1
SCHEMBL3037055 0.78 BRAF (1.00) BRAFRAF1
SCHEMBL3042216 0.77 BRAF (0.68) BRAFRAF1
SCHEMBL3029301 0.76 BRAF (0.73) 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 claimed
Send feedback