SCHEMBL27775351

SCHEMBL27775351

O=C(C(CBr)c1c[nH]c2ncc(Br)cc12)C(CBr)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.43
AURKA O14965 2/20 0.43
JAK2 O60674 2/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
FGFR1 P11362 2/20 0.43
FLT1 P17948 2/20 0.43
KDR P35968 2/20 0.43
CLK2 P49760 2/20 0.43
CDK5 Q00535 2/20 0.43
MAP4K2 Q12851 2/20 0.43
TAOK1 Q7L7X3 2/20 0.43
AURKB Q96GD4 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
PLK4 O00444 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKCG P05129 1/20 0.43
INSR P06213 1/20 0.43
CDK1 P06493 1/20 0.43
FES P07332 1/20 0.43

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
SCHEMBL27923852 0.88 ITK (0.42) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL27678735 0.85 GSK3A (0.35) DYRK1AJAK2KDRROCK2FLT3
SCHEMBL27678709 0.80 DYRK1A (0.44) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL27678747 0.76 AXL (0.47) DYRK1AJAK2MAP4K4FLT1CLK2
SCHEMBL15882584 0.74 AURKA (0.50) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL1516742 0.72 CDK2 (0.46) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL31635975 0.72 CDK2 (0.46) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL24478962 0.71 DYRK1A (0.44) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL8478533 0.71 PLK4 (0.44) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL4828101 0.71 AURKA (0.54) DYRK1AAURKAJAK2PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228657-A 3-heteroaryl-substituted pyrrolo [2,3-b ] pyridine derivatives as PDK1 inhibitors MERCK PATENT GMBH 2013-07-31 CN disclosed
CN-101679436-A Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS INC 2010-03-24 CN disclosed