SCHEMBL13634320

SCHEMBL13634320

CCc1coc(N2CCOC[C@@H]2CC)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.40
MTOR P42345 10/20 0.39
PIK3CA P42336 5/20 0.39
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38
PIK3R1 P27986 2/20 0.37
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ATR Q13535 2/20 0.34
KCNH2 Q12809 1/20 0.32

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
SCHEMBL13634339 0.80 HTR3A (0.41) HTR3AMTORPIK3CAAURKAPDPK1
SCHEMBL13634370 0.75 MAPK1 (0.39) KCNH2
SCHEMBL13634304 0.70 HRH4 (0.38) HTR3AKCNH2
SCHEMBL21029956 0.69 MTOR (0.49) HTR3AMTORPIK3CAAURKAPDPK1
SCHEMBL20692864 0.69 MTOR (0.49) HTR3AMTORPIK3CAAURKAPDPK1
SCHEMBL13163110 0.67 PDK1 (0.39) HTR3AMTOR
SCHEMBL22775348 0.67 AURKA (0.41) HTR3AMTORPIK3CAAURKAPDPK1
SCHEMBL22775349 0.67 AURKA (0.41) HTR3AMTORPIK3CAAURKAPDPK1
SCHEMBL22773872 0.67 AURKA (0.41) HTR3AMTORPIK3CAAURKAPDPK1
SCHEMBL4201820 0.67 AURKA (0.41) HTR3AMTORPIK3CAAURKAPDPK1

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