SCHEMBL13634272

SCHEMBL13634272

CCc1csc(N2CCOCC2COC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
MTOR P42345 1/20 0.38
F2RL3 Q96RI0 1/20 0.34
OGA O60502 1/20 0.33
PIK3CA P42336 5/20 0.33
PIK3CD O00329 4/20 0.33
PIK3CG P48736 4/20 0.33
PIK3CB P42338 3/20 0.33
MAPT P10636 1/20 0.33
IDH1 O75874 1/20 0.33
DNM1L O00429 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AADAT Q8N5Z0 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL13634284 1.00 PDK1 (0.40) PDK1PDK2PDK3MTORF2RL3
SCHEMBL3545517 0.85 PDK1 (0.39) PDK1PDK2PDK3MTORPIK3CA
SCHEMBL28003161 0.84 MTOR (0.41) PDK1PDK2PDK3MTORPIK3CA
SCHEMBL16603221 0.81 F2RL3 (0.44) F2RL3ADORA1
SCHEMBL3551339 0.81 MTOR (0.37) PDK1PDK2PDK3MTORPIK3CA
SCHEMBL13634271 0.81 IRAK4 (0.39) MTOROGAPIK3CAPIK3CDPIK3CG
SCHEMBL13634351 0.80 PDK1 (0.38) PDK1PDK2PDK3MTOROGA
SCHEMBL3435910 0.80 PDK1 (0.38) PDK1PDK2PDK3MTOROGA
SCHEMBL13162772 0.79 MTOR (0.40) PDK1PDK2PDK3MTORPIK3CA
SCHEMBL13162767 0.79 MTOR (0.40) PDK1PDK2PDK3MTORPIK3CA

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed