SCHEMBL13680226

SCHEMBL13680226

C=C(Nc1cccc(Oc2ncnc3cc(OC)c(OC)cc23)c1)Nc1cc(C(C)C)no1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.81
RAF1 P04049 6/20 0.72
KDR P35968 3/20 0.61

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
SCHEMBL1012483 0.90 BRAF (1.00) BRAFRAF1KDR
SCHEMBL1780599 0.84 BRAF (1.00) BRAFRAF1
SCHEMBL13680222 0.83 BRAF (0.83) BRAFRAF1KDR
SCHEMBL19916632 0.79 BRAF (0.73) BRAFRAF1KDR
SCHEMBL13680212 0.79 BRAF (0.83) BRAFRAF1KDR
SCHEMBL1012249 0.78 BRAF (1.00) BRAFRAF1KDR
SCHEMBL1015091 0.77 BRAF (1.00) BRAFRAF1
SCHEMBL1098391 0.77 BRAF (0.67) BRAFRAF1KDR
SCHEMBL1012677 0.77 BRAF (1.00) BRAFRAF1KDR
SCHEMBL1012993 0.76 BRAF (1.00) 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-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed