SCHEMBL28046056

SCHEMBL28046056

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.53
AURKA O14965 2/20 0.50
JAK2 O60674 2/20 0.50
PRKD3 O94806 2/20 0.50
MAP4K4 O95819 2/20 0.50
FGFR1 P11362 2/20 0.50
FLT1 P17948 2/20 0.50
KDR P35968 2/20 0.50
CLK2 P49760 2/20 0.50
CDK5 Q00535 2/20 0.50
MAP4K2 Q12851 2/20 0.50
DYRK1A Q13627 2/20 0.50
TAOK1 Q7L7X3 2/20 0.50
AURKB Q96GD4 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
PLK4 O00444 1/20 0.50
ROCK2 O75116 1/20 0.50
PRKCG P05129 1/20 0.50
INSR P06213 1/20 0.50
CDK1 P06493 1/20 0.50

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
SCHEMBL4828101 0.90 AURKA (0.54) BRAFAURKAJAK2PRKD3MAP4K4
SCHEMBL857266 0.87 PLK4 (0.50) BRAFAURKAJAK2PRKD3MAP4K4
SCHEMBL858800 0.87 GPR84 (0.60) BRAFAURKAJAK2PRKD3MAP4K4
SCHEMBL15882691 0.87 DYRK1A (0.48) BRAFAURKAJAK2PRKD3MAP4K4
SCHEMBL28512135 0.87 DYRK1A (0.48) BRAFAURKAJAK2PRKD3MAP4K4
SCHEMBL1516568 0.87 DYRK1A (0.48) BRAFAURKAJAK2PRKD3MAP4K4
SCHEMBL4831062 0.87 DYRK1A (0.48) BRAFAURKAJAK2PRKD3MAP4K4
SCHEMBL8388809 0.87 BRAF (0.47) BRAFAURKAJAK2PRKD3MAP4K4
SCHEMBL1363568 0.87 AAK1 (0.58) BRAFAURKAJAK2PRKD3MAP4K4
SCHEMBL857305 0.86 BRAF (0.54) BRAFAURKAJAK2PRKD3MAP4K4

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-105228983-A The compound regulated for kinases and indication thereof PLEXXIKON INC 2016-01-06 CN disclosed