SCHEMBL16660274

SCHEMBL16660274

CC1CC(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3cccc(C(=O)NC4CC4)c3)n2)=NN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.46
AURKB Q96GD4 3/20 0.46
RET P07949 5/20 0.46
PLK4 O00444 2/20 0.46
ABL1 P00519 2/20 0.46
NTRK1 P04629 2/20 0.46
LCK P06239 2/20 0.46
CSF1R P07333 2/20 0.46
KIT P10721 2/20 0.46
FGFR1 P11362 2/20 0.46
SRC P12931 2/20 0.46
PDGFRA P16234 2/20 0.46
TYK2 P29597 2/20 0.46
KDR P35968 2/20 0.46
FLT3 P36888 2/20 0.46
PTK2 Q05397 2/20 0.46
MAP4K5 Q9Y4K4 2/20 0.46
FGFR3 P22607 2/20 0.46
CHEK1 O14757 1/20 0.46
PDPK1 O15530 1/20 0.46

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
SCHEMBL10122896 0.83 AURKA (0.69) AURKAAURKBRETPLK4ABL1
SCHEMBL14546532 0.79 AURKA (0.52) AURKAAURKBRETPLK4ABL1
SCHEMBL14546315 0.77 AURKA (0.50) AURKAAURKBRETPLK4ABL1
SCHEMBL14546305 0.76 AURKA (0.49) AURKAAURKBRETPLK4ABL1
SCHEMBL14546530 0.74 AURKA (0.50) AURKAAURKBRETPLK4ABL1
SCHEMBL14546318 0.68 AURKA (0.65) AURKAAURKBRETPLK4ABL1
SCHEMBL17208740 0.67 MEN1 (0.55) AURKAABL1LCKSRCTYK2
SCHEMBL16660290 0.67 DYRK1A (0.41) TYK2DRD2
SCHEMBL16660281 0.67 AURKA (0.39) AURKAAURKBRETPLK4ABL1
SCHEMBL10122894 0.66 AURKA (0.69) AURKAAURKBRETPLK4ABL1

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-1928456-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS INC (US) 2015-04-22 EP disclosed