SCHEMBL546769

SCHEMBL546769

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.78
RAF1 P04049 16/20 0.78
KDR P35968 4/20 0.44
ABL1 P00519 2/20 0.44
LCK P06239 2/20 0.44
RET P07949 2/20 0.44
EPHA2 P29317 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
FYN P06241 1/20 0.44
LYN P07948 1/20 0.44
ROS1 P08922 1/20 0.44
SRC P12931 1/20 0.44
RPS6KB1 P23443 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
SCHEMBL546750 0.93 BRAF (0.81) BRAFRAF1KDRABL1LCK
SCHEMBL545437 0.91 BRAF (0.72) BRAFRAF1KDRABL1LCK
SCHEMBL545923 0.88 BRAF (0.69) BRAFRAF1KDRABL1LCK
SCHEMBL545729 0.88 BRAF (0.86) BRAFRAF1KDRABL1LCK
SCHEMBL546019 0.88 BRAF (1.00) BRAFRAF1KDRABL1LCK
SCHEMBL545438 0.88 BRAF (1.00) BRAFRAF1KDRABL1LCK
SCHEMBL545490 0.88 BRAF (1.00) BRAFRAF1KDRABL1LCK
SCHEMBL544442 0.86 BRAF (0.89) BRAFRAF1KDRABL1LCK
SCHEMBL546357 0.85 BRAF (0.78) BRAFRAF1KDRABL1LCK
SCHEMBL10200925 0.85 BRAF (0.82) BRAFRAF1KDRABL1LCK

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