SCHEMBL545807

SCHEMBL545807

CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(CNCCN4CCCC4)cc(C(F)(F)F)c2)CC3)ccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.75
RAF1 P04049 13/20 0.75
KDR P35968 5/20 0.49
SRC P12931 2/20 0.44
MAPK14 Q16539 2/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
MAPK13 O15264 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
LYN P07948 1/20 0.44
RET P07949 1/20 0.44
ROS1 P08922 1/20 0.44
RPS6KB1 P23443 1/20 0.44
EPHA2 P29317 1/20 0.44
TYK2 P29597 1/20 0.44
AXL P30530 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
SCHEMBL546657 0.91 BRAF (0.81) BRAFRAF1KDRSRCMAPK14
SCHEMBL545460 0.91 BRAF (0.81) BRAFRAF1KDRSRCMAPK14
SCHEMBL546167 0.89 BRAF (0.80) BRAFRAF1KDRSRCMAPK14
SCHEMBL545729 0.89 BRAF (0.86) BRAFRAF1KDRSRCMAPK14
SCHEMBL545800 0.88 BRAF (0.72) BRAFRAF1KDRSRCMAPK14
SCHEMBL5417858 0.88 BRAF (0.71) BRAFRAF1KDRSRCMAPK14
SCHEMBL545691 0.88 BRAF (0.80) BRAFRAF1KDRSRCMAPK14
SCHEMBL546908 0.86 BRAF (0.80) BRAFRAF1KDRSRCMAPK14
SCHEMBL10200925 0.86 BRAF (0.82) BRAFRAF1KDRSRCMAPK14
SCHEMBL545923 0.86 BRAF (0.69) BRAFRAF1KDRSRCMAPK14

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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US claimed