SCHEMBL13148

SCHEMBL13148

O=C(c1n[nH]c2c1CS(=O)(=O)c1cc(OC(F)(F)F)ccc1-2)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.60
PIK3R2 O00459 20/20 0.60
PIK3CA P42336 20/20 0.60
PIK3CB P42338 20/20 0.60
PIK3CG P48736 20/20 0.60
PIK3R5 Q8WYR1 20/20 0.60
PIK3R3 Q92569 20/20 0.60

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
SCHEMBL13111 0.88 PIK3CD (0.68) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13372 0.85 PIK3CD (0.57) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082820 0.84 PIK3CD (0.50) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13277 0.80 PIK3CD (0.63) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12505 0.80 PIK3CD (0.67) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12449981 0.75 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13143 0.75 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13199 0.74 PIK3CD (0.64) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12275380 0.74 PIK3CD (0.77) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276932 0.72 PIK3CD (0.83) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed