SCHEMBL13680230

SCHEMBL13680230

C=C(Nc1cccc(Sc2ncnc3cc(OC)c(OC)cc23)c1)Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.83
RAF1 P04049 9/20 0.73
KDR P35968 2/20 0.59
RET P07949 1/20 0.59
KIF5B P33176 1/20 0.59
EGFR P00533 1/20 0.58

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
SCHEMBL1013794 0.91 BRAF (1.00) BRAFRAF1
SCHEMBL17278098 0.87 BRAF (0.83) BRAFRAF1KDREGFR
SCHEMBL13680206 0.86 BRAF (0.81) BRAFRAF1
SCHEMBL1015407 0.84 BRAF (1.00) BRAFRAF1
SCHEMBL1012597 0.83 BRAF (0.82) BRAFRAF1
SCHEMBL1012798 0.82 BRAF (1.00) BRAFRAF1
SCHEMBL15463598 0.82 BRAF (0.69) BRAFRAF1KDRRETKIF5B
SCHEMBL18676343 0.81 BRAF (0.59) BRAFRAF1
SCHEMBL17278106 0.81 KDR (0.72) BRAFRAF1KDRRETKIF5B
SCHEMBL18676628 0.80 BRAF (0.61) BRAFRAF1KDREGFR

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