SCHEMBL1012320

SCHEMBL1012320

COc1cc2ncnc(Oc3cccc(NC(N)=O)c3)c2cc1OC

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.82
BRAF P15056 15/20 0.80
RAF1 P04049 5/20 0.80
PDGFRB P09619 2/20 0.71
FLT4 P35916 2/20 0.71
CSF1R P07333 1/20 0.68
FLT3 P36888 1/20 0.68

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
SCHEMBL15463644 0.92 BRAF (0.75) KDRBRAFRAF1PDGFRBFLT4
SCHEMBL1013038 0.89 BRAF (1.00) KDRBRAFRAF1PDGFRBFLT4
SCHEMBL1013484 0.88 BRAF (1.00) KDRBRAFRAF1PDGFRBFLT4
SCHEMBL1013778 0.85 BRAF (1.00) KDRBRAFRAF1
SCHEMBL16692938 0.85 KDR (0.76) KDRBRAFRAF1PDGFRBFLT4
SCHEMBL1013810 0.85 BRAF (1.00) KDRBRAFRAF1PDGFRBFLT4
SCHEMBL7479985 0.84 KDR (1.00) KDRBRAFRAF1PDGFRBFLT4
SCHEMBL1013263 0.84 BRAF (1.00) KDRBRAFRAF1
SCHEMBL1780469 0.84 BRAF (0.84) KDRBRAFRAF1
SCHEMBL1012677 0.84 BRAF (1.00) KDRBRAFRAF1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529021-A 2011-12-01 JP claimed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP claimed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO claimed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed