SCHEMBL13680222

SCHEMBL13680222

C=C(Nc1cccc(Oc2ncnc3cc(OC)c(OC)cc23)c1)Nc1cc(C2CCOCC2)no1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.83
RAF1 P04049 7/20 0.83
KDR P35968 1/20 0.55

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
SCHEMBL1012252 0.91 BRAF (1.00) BRAFRAF1KDR
SCHEMBL17278104 0.86 BRAF (0.75) BRAFRAF1KDR
SCHEMBL17278082 0.86 BRAF (0.65) BRAFRAF1KDR
SCHEMBL1012866 0.86 BRAF (0.94) BRAFRAF1KDR
SCHEMBL1012758 0.86 BRAF (1.00) BRAFRAF1
SCHEMBL1010698 0.84 BRAF (1.00) BRAFRAF1KDR
SCHEMBL13680226 0.83 BRAF (0.81) BRAFRAF1KDR
SCHEMBL13680232 0.81 BRAF (0.82) BRAFRAF1
SCHEMBL1013205 0.81 BRAF (0.94) BRAFRAF1
SCHEMBL1013054 0.80 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