SCHEMBL10697534

SCHEMBL10697534

CCCN1CCC=C(c2sc(NC(C)=O)nc2C)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

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
ALDH1A1 P00352 1/20 0.40
HPGD P15428 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
SCHEMBL10696447 0.82 PIK3CG (0.46) PIK3CGPI4KBPIK3CDPIK3CAPIK3CB
SCHEMBL9835802 0.79 ABL1 (0.45)
SCHEMBL10696710 0.77 CHRM2 (0.45)
Hydrochloric Acid SCHEMBL10698643 0.72 DHFR (0.42)
SCHEMBL9833430 0.72 DHFR (0.42)
SCHEMBL10698179 0.69 TYR (0.45) PI4KB
SCHEMBL4200805 0.66 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL924757 0.66 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL9728494 0.65 CHRM2 (0.45)
SCHEMBL9729003 0.65 CHRM2 (0.40)

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