SCHEMBL30847372

SCHEMBL30847372

FC(F)(F)c1cccc(Nc2nccc(Br)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.72
IDH2 P48735 3/20 0.60
KDM4E B2RXH2 1/20 0.59
KIF11 P52732 1/20 0.55
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
CLK1 P49759 1/20 0.55
CLK2 P49760 1/20 0.55
DYRK1A Q13627 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
MAPK8 P45983 1/20 0.55
SYK P43405 1/20 0.54
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
CTSC P53634 1/20 0.53

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
SCHEMBL27110454 1.00 AURKA (0.72) AURKAIDH2KDM4EKIF11FLT1
SCHEMBL31501743 0.83 AURKA (0.72) AURKAIDH2KDM4EKIF11LMNA
SCHEMBL6663767 0.83 AURKA (0.72) AURKAIDH2KDM4EKIF11LMNA
SCHEMBL2113984 0.83 AURKA (0.77) AURKAIDH2KDM4EMAPK8CTSC
SCHEMBL14088796 0.83 AURKA (0.72) AURKAIDH2KDM4EKIF11FLT1
SCHEMBL84379 0.82 AURKA (0.67) AURKAIDH2KDM4EKIF11FLT1
SCHEMBL5732656 0.79 AURKA (0.66) AURKAIDH2KDM4EFLT1FLT4
SCHEMBL4901590 0.79 ABL1 (0.67) AURKAIDH2KDM4EKIF11FLT1
SCHEMBL4140858 0.78 CTSC (0.67) AURKAIDH2KDM4EKDRSYK
SCHEMBL3601052 0.78 HDAC3 (0.67) AURKAIDH2KDM4EKIF11LMNA

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
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed