SCHEMBL10696447

SCHEMBL10696447

CCCN1CC=C(c2sc(NC(C)=O)nc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.46
PI4KB Q9UBF8 3/20 0.44
PIK3CD O00329 4/20 0.44
PIK3CA P42336 4/20 0.44
PIK3CB P42338 4/20 0.44
HTR1F P30939 1/20 0.40

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
SCHEMBL10697534 0.82 PIK3CG (0.46) PIK3CGPI4KBPIK3CDPIK3CAPIK3CB
SCHEMBL10698628 0.79 ABL1 (0.45) PIK3CGPI4KBHTR1F
SCHEMBL10698534 0.77 HTR6 (0.39)
SCHEMBL10697938 0.71 TYR (0.41) PIK3CGPI4KBHTR1F
SCHEMBL26097300 0.70 PIK3CG (0.40) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL9618108 0.68 SIGMAR1 (0.50)
SCHEMBL4200805 0.66 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4523767 0.65 PIK3CG (0.83) PIK3CGPI4KB
SCHEMBL10697725 0.64 SMN1; SMN2 (0.43) PIK3CGPI4KBHTR1F
SCHEMBL12991553 0.64 PIK3CG (0.52) PIK3CGPI4KBPIK3CDPIK3CAPIK3CB

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-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed