SCHEMBL4101416

SCHEMBL4101416

CC(Nc1ncnc(N)c1N)c1cnc2c(Cl)cccc2c1-c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.54
PIK3CD O00329 17/20 0.51
PIK3CG P48736 5/20 0.47
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43
MAP4K4 O95819 2/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3R2 O00459 2/20 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
SCHEMBL4097264 0.90 BCL2 (0.49) BCL2PIK3CDPIK3CGAXLMERTK
SCHEMBL4103452 0.90 BCL2 (0.49) BCL2PIK3CDPIK3CGAXLMERTK
SCHEMBL4086336 0.89 BCL2 (0.69) BCL2PIK3CDPIK3CGAXLMERTK
SCHEMBL2718750 0.89 BCL2 (0.69) BCL2PIK3CDPIK3CGAXLMERTK
SCHEMBL4104175 0.89 BCL2 (0.69) BCL2PIK3CDPIK3CGAXLMERTK
SCHEMBL10202045 0.84 PIK3CD (0.46) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL4097957 0.83 PIK3CD (0.43) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL4100422 0.83 PIK3CD (0.43) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL4098100 0.83 PIK3CD (0.43) BCL2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL4104277 0.82 PIK3CD (0.49) BCL2PIK3CDPIK3CGPIK3CAPIK3CB

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-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed