SCHEMBL13680223

SCHEMBL13680223

C=C(Nc1cccc(Oc2ncnc3cc(OC)c(CC)cc23)c1)Nc1cc(C2(C)CC2)on1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.62
RAF1 P04049 6/20 0.53
KDR P35968 2/20 0.52
PDGFRB P09619 1/20 0.51
FLT4 P35916 1/20 0.51

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
SCHEMBL1012166 0.84 BRAF (0.82) BRAFRAF1KDRPDGFRB
SCHEMBL19916632 0.77 BRAF (0.73) BRAFRAF1KDRPDGFRB
SCHEMBL1012846 0.77 BRAF (1.00) BRAFRAF1KDRPDGFRB
SCHEMBL18676593 0.77 BRAF (0.65) BRAFRAF1KDRPDGFRB
SCHEMBL13680216 0.75 BRAF (0.82) BRAFRAF1
SCHEMBL19473583 0.73 BRAF (0.80) BRAFRAF1KDR
SCHEMBL13680226 0.73 BRAF (0.81) BRAFRAF1KDR
SCHEMBL16692935 0.72 BRAF (0.67) BRAFRAF1KDRPDGFRB
SCHEMBL18676405 0.71 BRAF (0.59) BRAFRAF1KDRPDGFRB
SCHEMBL1011946 0.71 BRAF (1.00) BRAFRAF1KDRPDGFRB

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