SCHEMBL13618171

SCHEMBL13618171

CNC(=O)c1cc(Oc2cc3nc(Nc4cccc(C(C)CF)c4)n(C)c3cc2OC)ccn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.56
RAF1 P04049 16/20 0.56
KDR P35968 2/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
PDGFRB P09619 1/20 0.55
KIT P10721 1/20 0.55
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
P2RX3 P56373 1/20 0.44

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
SCHEMBL2889958 0.92 BRAF (0.60) BRAFRAF1KDRLCKFYN
SCHEMBL2895273 0.85 BRAF (0.62) BRAFRAF1KDRLCKFYN
SCHEMBL2891775 0.84 RAF1 (0.66) BRAFRAF1KDRLCKFYN
SCHEMBL2885933 0.84 BRAF (0.78) BRAFRAF1KDRLCKFYN
SCHEMBL2886253 0.83 RAF1 (0.67) BRAFRAF1KDRLCKFYN
SCHEMBL2895164 0.83 BRAF (0.63) BRAFRAF1KDRLCKFYN
SCHEMBL2893110 0.82 RAF1 (0.66) BRAFRAF1KDRLCKFYN
SCHEMBL2891925 0.82 RAF1 (0.64) BRAFRAF1KDRLCKFYN
SCHEMBL2893119 0.81 BRAF (0.73) BRAFRAF1KDRLCKFYN
SCHEMBL2889965 0.81 BRAF (0.61) 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
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP disclosed