SCHEMBL13618591

SCHEMBL13618591

CN(C)C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(I)c2)n3C)ccn1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.73
RAF1 P04049 15/20 0.73
LCK P06239 2/20 0.61
FYN P06241 2/20 0.61
PDGFRB P09619 2/20 0.61
KIT P10721 2/20 0.61
FLT1 P17948 2/20 0.61
FLT4 P35916 2/20 0.61
KDR P35968 2/20 0.61
SRC P12931 1/20 0.56

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
SCHEMBL13559467 0.89 BRAF (0.73) BRAFRAF1LCKFYNPDGFRB
SCHEMBL2893061 0.88 RAF1 (0.81) BRAFRAF1LCKFYNPDGFRB
SCHEMBL2892790 0.88 BRAF (0.73) BRAFRAF1LCKFYNPDGFRB
SCHEMBL2889849 0.84 BRAF (0.71) BRAFRAF1LCKFYNPDGFRB
SCHEMBL2890953 0.84 BRAF (0.77) BRAFRAF1LCKFYNPDGFRB
SCHEMBL13618256 0.84 BRAF (0.83) BRAFRAF1LCKFYNPDGFRB
SCHEMBL2886999 0.84 BRAF (1.00) BRAFRAF1LCKFYNPDGFRB
SCHEMBL2887008 0.84 BRAF (0.77) BRAFRAF1LCKFYNPDGFRB
SCHEMBL13290398 0.84 BRAF (0.66) BRAFRAF1LCKFYNPDGFRB
SCHEMBL2895177 0.84 BRAF (0.76) BRAFRAF1LCKFYNPDGFRB

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
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP disclosed