SCHEMBL5089015

SCHEMBL5089015

CNC(=O)c1cc(Oc2ccc(N(C(N)=O)c3cc(C(C)(C)C)ccc3-c3cc(C)[nH]c3C)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.46
RAF1 P04049 11/20 0.46
KDR P35968 7/20 0.41
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
MAPK14 Q16539 2/20 0.41
EPHX2 P34913 1/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
MAPK13 O15264 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
ROS1 P08922 1/20 0.40

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
SCHEMBL5089023 0.81 BRAF (0.46) BRAFRAF1KDRLCKFYN
SCHEMBL618033 0.79 RAF1 (0.59) BRAFRAF1KDRLCKFYN
SCHEMBL5089012 0.78 BRAF (0.43) BRAFRAF1KDRLCKFYN
SCHEMBL177543 0.78 KDR (0.60) BRAFRAF1KDRLCKFYN
SCHEMBL2705545 0.75 RAF1 (0.62) BRAFRAF1KDRLCKFYN
SCHEMBL26545831 0.75 BRAF (0.66) BRAFRAF1KDRLCKFYN
SCHEMBL14527398 0.70 BRAF (0.60) BRAFRAF1KDRLCKFYN
SCHEMBL2329688 0.69 BRAF (0.52) BRAFRAF1KDREPHX2
SCHEMBL7971280 0.69 BRAF (0.41) BRAFRAF1
SCHEMBL694648 0.69 RAF1 (0.67) 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-7351834-B1 ω-Carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 US disclosed