SCHEMBL3143965

SCHEMBL3143965

C[C@H](Nc1cncc(-n2cnc3cc(NC(=O)[C@@H]4CCCN4OC(=O)OC(C)(C)C)ccc32)n1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
CSF1R P07333 3/20 0.40
JAK3 P52333 6/20 0.38
JAK2 O60674 5/20 0.38
FYN P06241 2/20 0.38
FLT1 P17948 2/20 0.38
KDR P35968 2/20 0.38
BTK Q06187 2/20 0.38
STK16 O75716 1/20 0.38
SRC P12931 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LCK P06239 7/20 0.36
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL4319121 0.89 AURKA (0.45) AURKAAURKBCSF1RJAK3JAK2
SCHEMBL3153474 0.85 AURKA (0.49) AURKAAURKBCSF1RJAK3JAK2
SCHEMBL3143344 0.82 AURKA (0.54) AURKAAURKBCSF1RJAK3JAK2
SCHEMBL13932960 0.82 AURKA (0.44) AURKAAURKBCSF1RJAK3JAK2
SCHEMBL17627185 0.80 AURKA (0.59) AURKAAURKBCSF1RJAK3JAK2
SCHEMBL3148016 0.80 AURKA (0.59) AURKAAURKBCSF1RJAK3JAK2
SCHEMBL3138272 0.79 AURKA (0.49) AURKAAURKBCSF1RJAK3JAK2
SCHEMBL13666773 0.79 AURKA (0.49) AURKAAURKBCSF1RJAK3JAK2
SCHEMBL3144080 0.79 AURKA (0.56) AURKAAURKBCSF1RJAK3JAK2
SCHEMBL3146870 0.78 AURKA (0.48) AURKAAURKBCSF1RJAK3JAK2

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
EP-1511742-B1 KINASE INHIBITORS CYTOPIA RES PTY LTD (AU) 2010-02-03 EP claimed