SCHEMBL28968355

SCHEMBL28968355

CC(NC(=O)OC(C)(C)C)c1nc2cccc(Cl)c2c(=O)n1C1CC(CO)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.49
PIK3R2 O00459 15/20 0.49
PIK3CG P48736 4/20 0.49

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
SCHEMBL30418978 1.00 PIK3CD (0.49) PIK3CDPIK3R2PIK3CG
SCHEMBL30418541 0.90 PIK3CD (0.60) PIK3CDPIK3R2PIK3CG
SCHEMBL28968385 0.90 PIK3CD (0.60) PIK3CDPIK3R2PIK3CG
SCHEMBL28968336 0.90 PIK3CD (0.51) PIK3CDPIK3R2PIK3CG
SCHEMBL28968338 0.90 PIK3CD (0.51) PIK3CDPIK3R2PIK3CG
SCHEMBL18056720 0.89 PIK3CD (0.53) PIK3CDPIK3R2PIK3CG
SCHEMBL28968362 0.89 PIK3CD (0.50) PIK3CDPIK3R2PIK3CG
SCHEMBL28968359 0.89 PIK3CD (0.50) PIK3CDPIK3R2PIK3CG
SCHEMBL28968392 0.86 PIK3CD (0.44) PIK3CDPIK3R2PIK3CG
SCHEMBL17332630 0.84 PIK3CD (0.46) PIK3CDPIK3R2PIK3CG

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-115785084-A Pyrimidine derivatives and their use in medicine 广东东阳光药业有限公司 2023-03-14 CN disclosed