SCHEMBL12682973

SCHEMBL12682973

CC(Nc1ncnc2[nH]cnc12)c1nc2ccc(F)c(N)c2n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 15/20 0.50
▸ PIK3CG P48736 10/20 0.50
▸ PIK3R1 P27986 9/20 0.50
▸ PIK3CB P42338 8/20 0.50
▸ PIK3CA P42336 6/20 0.50
▸ PIK3C3 Q8NEB9 1/20 0.50

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
SCHEMBL11902074 0.93 PIK3CD (0.50) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901137 0.90 PIK3CD (0.51) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11900814 0.90 PIK3CD (0.49) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11900722 0.90 PIK3CD (0.49) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11902034 0.89 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11902030 0.89 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901464 0.88 PIK3CD (0.48) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901940 0.88 PIK3CD (0.49) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901335 0.88 PIK3CD (0.56) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901362 0.87 PIK3CD (0.47) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO disclosed
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