SCHEMBL16660281

SCHEMBL16660281

CC1CC(Nc2cc(N3CCN(C)CC3)nc(C#Cc3ccccc3)n2)=NN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.39
NTRK1 P04629 5/20 0.39
LCK P06239 3/20 0.38
KDR P35968 3/20 0.38
FLT3 P36888 3/20 0.38
PLK4 O00444 2/20 0.38
ABL1 P00519 2/20 0.38
CSF1R P07333 2/20 0.38
RET P07949 2/20 0.38
KIT P10721 2/20 0.38
FGFR1 P11362 2/20 0.38
SRC P12931 2/20 0.38
PDGFRA P16234 2/20 0.38
TYK2 P29597 2/20 0.38
PTK2 Q05397 2/20 0.38
AURKB Q96GD4 2/20 0.38
MAP4K5 Q9Y4K4 2/20 0.38
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL10122871 0.77 AURKA (0.64) AURKANTRK1LCKKDRFLT3
SCHEMBL597862 0.77 AURKA (0.46) AURKANTRK1LCKKDRFLT3
SCHEMBL14546532 0.72 AURKA (0.52) AURKANTRK1LCKKDRFLT3
SCHEMBL14546315 0.70 AURKA (0.50) AURKANTRK1LCKKDRFLT3
SCHEMBL14546305 0.69 AURKA (0.49) AURKANTRK1LCKKDRFLT3
SCHEMBL14546530 0.69 AURKA (0.50) AURKANTRK1LCKKDRFLT3
SCHEMBL16660274 0.67 AURKA (0.46) AURKANTRK1LCKKDRFLT3
SCHEMBL21744943 0.66 DPP4 (0.40) AURKARETCHEK1HRH4KMT2A
SCHEMBL10312059 0.63 AURKA (0.50) AURKANTRK1LCKKDRFLT3
SCHEMBL14532247 0.62 AURKA (0.47) AURKANTRK1LCKKDRFLT3

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