SCHEMBL28696802

SCHEMBL28696802

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.47
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 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
IGF1R P08069 1/20 0.43
ROS1 P08922 1/20 0.43
FGFR1 P11362 1/20 0.43
PHKG2 P15735 1/20 0.43
FER P16591 1/20 0.43
FLT1 P17948 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
FLT4 P35916 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
SCHEMBL30676600 0.85 AXL (0.63) AXLPLK4AURKAJAK2ROCK2
SCHEMBL1427263 0.85 AXL (0.63) AXLPLK4AURKAJAK2ROCK2
SCHEMBL8167329 0.84 AURKA (0.50) AXLPLK4AURKAJAK2ROCK2
SCHEMBL1516568 0.82 DYRK1A (0.48) AXLPLK4AURKAJAK2ROCK2
SCHEMBL28046056 0.82 BRAF (0.53) AXLPLK4AURKAJAK2ROCK2
SCHEMBL4828101 0.82 AURKA (0.54) AXLPLK4AURKAJAK2ROCK2
SCHEMBL4120005 0.79 SYK (0.46) AXLPLK4AURKAJAK2ROCK2
SCHEMBL15882691 0.79 DYRK1A (0.48) AXLPLK4AURKAJAK2ROCK2
SCHEMBL4831062 0.79 DYRK1A (0.48) AXLPLK4AURKAJAK2ROCK2
SCHEMBL28512135 0.79 DYRK1A (0.48) AXLPLK4AURKAJAK2ROCK2

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-113321650-B 3-substituent-5- (substituted aryl) -7-azaindole derivative and application thereof 厦门大学 2022-04-12 CN disclosed
CN-113321650-A 3-substituent-5- (substituted aryl) -7-azaindole derivative and application thereof 厦门大学 2021-08-31 CN disclosed