SCHEMBL3884561

SCHEMBL3884561

CNC(=O)c1cc(-c2cccc(CNC3CCc4c(F)cc(F)cc43)c2)cnc1[AsH2]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
PARP1 P09874 3/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
DHODH Q02127 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CDK8 P49336 2/20 0.34
AXL P30530 3/20 0.34
MERTK Q12866 3/20 0.34
HPGDS O60760 1/20 0.33
MAOA P21397 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
CHRM3 P20309 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3461547 0.90 AXL (0.42) AXLMERTK
SCHEMBL3870303 0.81 AXL (0.35) MAOBDHODHJAK2CDK8AXL
SCHEMBL3460567 0.79 PIK3CD (0.49)
SCHEMBL3462510 0.77 MERTK (0.43) AXLMERTK
SCHEMBL3460453 0.77 MET (0.45) AXLMERTK
SCHEMBL3461403 0.75 MERTK (0.43) AXLMERTK
SCHEMBL3460876 0.74 MERTK (0.43) AXLMERTK
SCHEMBL3462249 0.74 MERTK (0.46) AXLMERTK
SCHEMBL3460134 0.71 PIK3CD (0.48)
SCHEMBL3462368 0.71 MERTK (0.43) AXLMERTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 WO disclosed