SCHEMBL4085689

SCHEMBL4085689

C[C@@H](Nc1ncnc(N)c1N)c1cnc2ccccc2c1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.44
PIK3CG P48736 11/20 0.44
PIK3CB P42338 10/20 0.44
PIK3CA P42336 9/20 0.44
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
PIK3R1 P27986 1/20 0.40

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
SCHEMBL10202013 0.88 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL10200609 0.88 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4096836 0.88 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4090412 0.88 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4091135 0.88 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2718757 0.87 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL4092565 0.87 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL15437053 0.87 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL4097646 0.87 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL4099393 0.86 PIK3CD (0.41) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1

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