SCHEMBL4097948

SCHEMBL4097948

Cc1ncnc(N[C@H](C)c2cnc3ccc(F)cc3c2-c2cccc(F)c2)c1N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
PIK3CD O00329 15/20 0.45
PIK3CG P48736 8/20 0.44
PIK3CA P42336 7/20 0.44
PIK3CB P42338 7/20 0.44
BCL2 P10415 1/20 0.44
MAP4K4 O95819 2/20 0.42
CYP3A4 P08684 3/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41

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
SCHEMBL4098801 1.00 EGFR (0.46) EGFRPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL2717866 0.84 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL15437195 0.84 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL4100816 0.84 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL2718225 0.83 PIK3CD (0.49) EGFRPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL2731870 0.83 PIK3CD (0.49) EGFRPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL2720488 0.83 PIK3CD (0.49) EGFRPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL4097174 0.78 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL2717249 0.78 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBBCL2
SCHEMBL2719996 0.78 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBBCL2

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