SCHEMBL13680216

SCHEMBL13680216

C=C(Nc1cccc(Oc2ncnc3cc(OCC)c(OCC)cc23)c1)Nc1cc(C(C)(C)C)on1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.82
RAF1 P04049 13/20 0.77

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
SCHEMBL1012968 0.90 BRAF (1.00) BRAFRAF1
Hydrochloric Acid SCHEMBL1013667 0.89 BRAF (0.98) BRAFRAF1
SCHEMBL18676482 0.87 BRAF (0.64) BRAFRAF1
SCHEMBL1012269 0.87 BRAF (1.00) BRAFRAF1
SCHEMBL1014780 0.87 BRAF (1.00) BRAFRAF1
SCHEMBL18676593 0.87 BRAF (0.65) BRAFRAF1
Hydrochloric Acid SCHEMBL1012255 0.86 BRAF (0.98) BRAFRAF1
SCHEMBL16692935 0.85 BRAF (0.67) BRAFRAF1
SCHEMBL16692933 0.83 BRAF (0.82) BRAFRAF1
SCHEMBL18676405 0.82 BRAF (0.59) 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