SCHEMBL4097264

SCHEMBL4097264

C[C@H](Nc1ncnc(N)c1N)c1cnc2c(F)cccc2c1-c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.49
PIK3CD O00329 16/20 0.49
PIK3CG P48736 3/20 0.44
MAP4K4 O95819 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CA P42336 1/20 0.41
AXL P30530 1/20 0.39
MERTK Q12866 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
SCHEMBL4103452 1.00 BCL2 (0.49) BCL2PIK3CDPIK3CGMAP4K4PIK3CB
SCHEMBL4097957 0.93 PIK3CD (0.43) BCL2PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4098100 0.93 PIK3CD (0.43) BCL2PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4100422 0.93 PIK3CD (0.43) BCL2PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL10202042 0.91 PIK3CD (0.43) BCL2PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4099701 0.91 PIK3CD (0.43) BCL2PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4097654 0.91 PIK3CD (0.43) BCL2PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4101416 0.90 BCL2 (0.54) BCL2PIK3CDPIK3CGMAP4K4PIK3CB
SCHEMBL15437121 0.89 BCL2 (0.63) BCL2PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4101759 0.89 BCL2 (0.63) BCL2PIK3CDPIK3CGPIK3CBPIK3CA

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