SCHEMBL27769958

SCHEMBL27769958

O=C1C=CC(=O)C(c2c[nH]c3ncc(Br)cc23)=C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.52
JAK2 O60674 3/20 0.52
AURKA O14965 2/20 0.52
PRKD3 O94806 2/20 0.52
MAP4K4 O95819 2/20 0.52
FGFR1 P11362 2/20 0.52
FLT1 P17948 2/20 0.52
KDR P35968 2/20 0.52
CLK2 P49760 2/20 0.52
CDK5 Q00535 2/20 0.52
MAP4K2 Q12851 2/20 0.52
TAOK1 Q7L7X3 2/20 0.52
AURKB Q96GD4 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
PLK4 O00444 1/20 0.52
ROCK2 O75116 1/20 0.52
PRKCG P05129 1/20 0.52
INSR P06213 1/20 0.52
CDK1 P06493 1/20 0.52
FES P07332 1/20 0.52

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
SCHEMBL27748684 0.74 CAMKK2 (0.48) DYRK1AMAP4K4KDRCLK2CDK5
SCHEMBL7737770 0.74 PDGFRB (0.44) DYRK1AJAK2AURKAPRKD3MAP4K4
SCHEMBL18392230 0.70 DYRK1A (0.54) DYRK1AJAK2AURKAPRKD3MAP4K4
SCHEMBL1516750 0.69 JAK2 (1.00) DYRK1AJAK2AURKAPRKD3MAP4K4
SCHEMBL11968456 0.69 DYRK1A (0.54) DYRK1AJAK2AURKAPRKD3MAP4K4
SCHEMBL31748571 0.69 DYRK1A (0.51) DYRK1AJAK2AURKAPRKD3MAP4K4
SCHEMBL28614283 0.68 JAK2 (0.75) DYRK1AJAK2AURKAPRKD3MAP4K4
SCHEMBL8320389 0.68 DYRK1A (0.66) DYRK1AJAK2AURKAPRKD3MAP4K4
SCHEMBL8324869 0.67 DYRK1A (0.56) DYRK1AJAK2AURKAPRKD3MAP4K4
SCHEMBL1516629 0.67 DYRK1A (0.73) DYRK1AJAK2AURKAPRKD3MAP4K4

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
CN-101492465-A 7,7'-diaza indirubin compounds for antineoplastic medicament UNIV SHANGHAI JIAOTONG (CN) 2009-07-29 CN disclosed