SCHEMBL12856418

SCHEMBL12856418

Bc1cc(/C=C2\C(=O)Nc3ccc(-c4cccnc4)cc32)cc(B)c1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.77
PIK3C3 Q8NEB9 1/20 0.77
JAK3 P52333 2/20 0.62
JAK2 O60674 1/20 0.62
ABL1 P00519 1/20 0.59
RET P07949 1/20 0.59
FLT3 P36888 1/20 0.59
ALK Q9UM73 1/20 0.59
LRRK2 Q5S007 4/20 0.58
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
GSK3B P49841 1/20 0.50
PDPK1 O15530 1/20 0.48
AKT2 P31751 1/20 0.48
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAP1LC3B Q9GZQ8 2/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 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
SCHEMBL14040833 0.87 RAF1 (1.00) RAF1PIK3C3JAK3JAK2ABL1
SCHEMBL5772199 0.87 RAF1 (1.00) RAF1PIK3C3JAK3JAK2ABL1
SCHEMBL5775600 0.77 RAF1 (0.68) RAF1PIK3C3JAK3JAK2ABL1
SCHEMBL5476260 0.77 JAK3 (1.00) RAF1PIK3C3JAK3JAK2ABL1
SCHEMBL5476263 0.77 JAK3 (1.00) RAF1PIK3C3JAK3JAK2ABL1
SCHEMBL6174867 0.75 JAK3 (0.64) RAF1PIK3C3JAK3JAK2ABL1
SCHEMBL5469456 0.74 RET (1.00) RAF1PIK3C3JAK3JAK2ABL1
SCHEMBL5469460 0.74 RET (1.00) RAF1PIK3C3JAK3JAK2ABL1
SCHEMBL6742300 0.74 PLK4 (0.58) RAF1PIK3C3JAK3JAK2ABL1
SCHEMBL6742302 0.74 PLK4 (0.58) RAF1PIK3C3JAK3JAK2ABL1

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
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed