SCHEMBL12682811

SCHEMBL12682811

CC(Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2n1-c1ccc(N)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.63
PIK3CG P48736 14/20 0.63
PIK3R1 P27986 13/20 0.63
PIK3CB P42338 13/20 0.63
PIK3CA P42336 11/20 0.63
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
SCHEMBL11901928 0.95 PIK3CD (0.66) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901865 0.92 PIK3CD (0.60) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901736 0.92 PIK3CD (0.67) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11900537 0.92 PIK3CD (0.67) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901733 0.92 PIK3CD (0.67) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901275 0.91 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11902233 0.91 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11902011 0.91 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901497 0.91 PIK3CD (0.67) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901840 0.89 PIK3CD (0.67) 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