SCHEMBL28761614

SCHEMBL28761614

CC(=O)Oc1c[nH]c2ncc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.44
AURKA O14965 2/20 0.44
JAK2 O60674 2/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
FGFR1 P11362 2/20 0.44
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
CLK2 P49760 2/20 0.44
CDK5 Q00535 2/20 0.44
MAP4K2 Q12851 2/20 0.44
TAOK1 Q7L7X3 2/20 0.44
AURKB Q96GD4 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
PLK4 O00444 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKCG P05129 1/20 0.44
INSR P06213 1/20 0.44
CDK1 P06493 1/20 0.44
FES P07332 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
SCHEMBL27920535 0.84 SLC22A6 (0.45) SLC22A6MTNR1AMTNR1BSGK1AXL
SCHEMBL9275414 0.83 AURKA (0.43) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL27939090 0.82 SLC22A6 (0.48) AURKAJAK2MAP4K4FGFR1FLT1
SCHEMBL27939079 0.82 SLC22A6 (0.44) DYRK1AJAK2FLT3SLC22A6MTNR1A
SCHEMBL1516568 0.80 DYRK1A (0.48) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL25303525 0.80 DYRK1A (0.50) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL27939107 0.79 ALDH1A1 (0.42) DYRK1ASLC22A6MTNR1AMTNR1BAAK1
SCHEMBL412033 0.78 AAK1 (0.43) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL30676600 0.75 AXL (0.63) DYRK1AAURKAJAK2PRKD3MAP4K4
SCHEMBL1427263 0.75 AXL (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1972943-A New derivatives of 5-aryl-1h-pyrrolo [2, 3b] pyridine-3-carboxamide or 5-aryl-1h-pyrrolo [2, 3b] pyridine-3-carboxylic acid ASTRAZENECA AB (SE) 2007-05-30 CN disclosed