SCHEMBL2303371

SCHEMBL2303371

CC(C=O)CN1CCC(Cc2ccc3nc(Cl)nc(N4CCOCC4)c3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.39
PIK3CA P42336 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CB P42338 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MTOR P42345 1/20 0.31
HDAC1 Q13547 1/20 0.31
CYP11B2 P19099 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2302880 0.86 PIK3CD (0.39) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL2272862 0.82 SMN1; SMN2 (0.41) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL2268269 0.82 PIK3CD (0.42) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL2274088 0.81 PIK3CA (0.41) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL2275207 0.80 PIK3CD (0.39) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL2270052 0.78 PIK3CA (0.43) PIK3CDPIK3CAPIK3CGSMN1; SMN2MTOR
SCHEMBL2305471 0.75 PIK3CD (0.34) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL12370236 0.74 SMN1; SMN2 (0.47) PIK3CDPIK3CAPIK3CGSMN1; SMN2KDM4E
SCHEMBL2271455 0.73 PIK3CD (0.54) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL2271370 0.72 PTGES (0.44) PIK3CDPIK3CAPIK3CGSMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539337-A1 PYRIDO[3,2-D]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-01-02 EP disclosed
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