SCHEMBL13504253

SCHEMBL13504253

Cn1c(Nc2cccc(Cc3ccnc(F)c3)c2)nc2cc(Oc3ccnc(C(=O)NCCO)c3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.67
RAF1 P04049 16/20 0.67
KDR P35968 2/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
PDGFRB P09619 1/20 0.60
KIT P10721 1/20 0.60
FLT1 P17948 1/20 0.60
FLT4 P35916 1/20 0.60

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
SCHEMBL13504371 0.92 BRAF (0.65) BRAFRAF1KDRLCKFYN
SCHEMBL13504245 0.90 RAF1 (0.57) BRAFRAF1KDRLCKFYN
SCHEMBL5833329 0.90 BRAF (0.55) BRAFRAF1KDRLCKFYN
SCHEMBL13618012 0.85 BRAF (0.74) BRAFRAF1KDRLCKFYN
SCHEMBL2892823 0.84 BRAF (0.82) BRAFRAF1KDRLCKFYN
SCHEMBL2886397 0.84 RAF1 (0.84) BRAFRAF1KDRLCKFYN
SCHEMBL2892850 0.83 BRAF (0.81) BRAFRAF1KDRLCKFYN
SCHEMBL2896120 0.83 BRAF (0.69) BRAFRAF1KDRLCKFYN
SCHEMBL2889525 0.83 BRAF (0.76) BRAFRAF1KDRLCKFYN
SCHEMBL2890935 0.82 BRAF (0.68) BRAFRAF1KDRLCKFYN

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
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed