SCHEMBL6233788

SCHEMBL6233788

CC(C)(C)c1cc(NC(=O)Nc2ccc(F)c(COc3cnccn3)c2)n(-c2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.53
BRAF P15056 2/20 0.52
MAPK14 Q16539 10/20 0.52
MAPK13 O15264 7/20 0.51
PTK2 Q05397 4/20 0.51
MAPK12 P53778 4/20 0.51
MAPK11 Q15759 4/20 0.51
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KCNJ6 P48051 1/20 0.49
KCNJ5 P48544 1/20 0.49
KCNJ3 P48549 1/20 0.49

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
SCHEMBL6079289 0.95 MAPK14 (0.59) BRAFMAPK14MAPK13PTK2MAPK12
SCHEMBL6080298 0.94 MAPK14 (0.56) BRAFMAPK14MAPK13PTK2MAPK12
SCHEMBL6079909 0.94 MAPK14 (0.56) FLT3MAPK14MAPK13PTK2MAPK12
SCHEMBL6079684 0.94 MAPK13 (0.60) FLT3BRAFMAPK14MAPK13PTK2
SCHEMBL6079363 0.92 MAPK14 (0.49) FLT3BRAFMAPK14MAPK13PTK2
SCHEMBL6078855 0.91 BRAF (0.54) FLT3BRAFMAPK14MAPK13PTK2
SCHEMBL6079432 0.85 PTK2 (0.42) BRAFMAPK14MAPK13PTK2MAPK12
SCHEMBL6080266 0.85 MAPK14 (0.43) BRAFMAPK14MAPK13PTK2MAPK12
SCHEMBL6079824 0.84 PTPN1 (0.50) BRAFMAPK14KCNJ6KCNJ5KCNJ3
SCHEMBL6079268 0.83 KCNJ6 (0.52) BRAFKCNJ6KCNJ5KCNJ3

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
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed