SCHEMBL2302802

SCHEMBL2302802

Clc1nc(N2CCOCC2)c2nc(CBr)ccc2n1.FC1(F)CCN(C2CN(Cc3ccc4nc(Cl)nc(N5CCOCC5)c4n3)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.40
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
CNR2 P34972 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
TACR2 P21452 1/20 0.30
CXCR4 P61073 1/20 0.30

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
SCHEMBL2271357 0.96 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGHRH3
SCHEMBL2270429 0.88 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGHRH3
SCHEMBL2357042 0.83 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGHRH3
SCHEMBL2277063 0.82 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGHRH3
SCHEMBL2272865 0.82 SMN1; SMN2 (0.44) PIK3CDPIK3CAPIK3CGSMN1; SMN2KDM4E
SCHEMBL2271455 0.79 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGHRH3
SCHEMBL2277020 0.77 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGHRH3
SCHEMBL2276355 0.77 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGHRH3
SCHEMBL2269670 0.76 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2273572 0.75 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGCNR2

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-2011101429-A1 PYRIDO[3,2-D]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed