SCHEMBL28833247

SCHEMBL28833247

Cc1cccc2nc([C@H](C)N)n(C3CC3)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.51
PIK3CG P48736 3/20 0.43
PIK3R2 O00459 7/20 0.43
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
ELANE P08246 1/20 0.40
TP53 P04637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL28833248 1.00 PIK3CD (0.51) PIK3CDPIK3CGPIK3R2GAAALOX15
SCHEMBL26705625 0.90 PIK3CD (0.48) PIK3CDPIK3CGPIK3R2ELANEHRH3
SCHEMBL16583313 0.86 PIK3CD (0.47) PIK3CDPIK3CGPIK3R2ELANE
SCHEMBL16583314 0.86 PIK3CD (0.47) PIK3CDPIK3CGPIK3R2ELANE
SCHEMBL28093334 0.86 PIK3CD (0.51) PIK3CDPIK3CGPIK3R2
SCHEMBL16583238 0.86 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2
SCHEMBL28093332 0.86 PIK3CD (0.51) PIK3CDPIK3CGPIK3R2
SCHEMBL16583237 0.86 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2
Hydrochloric Acid SCHEMBL22529309 0.85 PIK3CD (0.55) PIK3CDPIK3CGPIK3R2
Hydrochloric Acid SCHEMBL22529307 0.85 PIK3CD (0.55) PIK3CDPIK3CGPIK3R2

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
CN-105924434-A Substituted aminopyrimidine compound and usage method and application thereof 广东东阳光药业有限公司 2016-09-07 CN disclosed