SCHEMBL4096836

SCHEMBL4096836

C[C@@H](Nc1ncnc(N)c1N)c1cnc2cc(Cl)ccc2c1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.45
PIK3CG P48736 10/20 0.45
PIK3CB P42338 9/20 0.45
PIK3CA P42336 8/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PIK3R2 O00459 1/20 0.38

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
SCHEMBL10200609 1.00 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CAKDM4E
SCHEMBL4090412 0.92 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R2
SCHEMBL10202013 0.92 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R2
SCHEMBL4091135 0.92 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R2
SCHEMBL2717788 0.89 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R2
SCHEMBL15437119 0.89 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R2
SCHEMBL15437106 0.89 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R2
SCHEMBL4085689 0.88 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL4101744 0.82 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R2
SCHEMBL4104277 0.82 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R2

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