SCHEMBL27612801

SCHEMBL27612801

Nc1nc(N)c([N+](=O)[O-])c(-c2cccc(O)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CD O00329 1/20 0.53
PIK3C2B O00750 1/20 0.53
PDXK O00764 1/20 0.53
GAK O14976 1/20 0.53
MAP3K7 O43318 1/20 0.53
RIPK2 O43353 1/20 0.53
PIP5K1C O60331 1/20 0.53
STK16 O75716 1/20 0.53
PIK3C2G O75747 1/20 0.53
PRKD3 O94806 1/20 0.53
OXSR1 O95747 1/20 0.53
LATS1 O95835 1/20 0.53
ABL1 P00519 1/20 0.53
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
LCK P06239 1/20 0.53
BRAF P15056 1/20 0.53

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
SCHEMBL27595063 0.81 MEN1 (0.51) PIK3CGPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL27612794 0.76 PIK3CG (0.61) PIK3CGPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL8793485 0.75 PDE4D (0.41) PIK3CGPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL27612809 0.75 PIK3CG (0.60) PIK3CGPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL1116418 0.75 PIK3CG (0.60) PIK3CGPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL27631682 0.74 ADORA1 (0.61) PIK3CGPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL27631513 0.72 PIK3CG (0.59) PIK3CGPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL27612700 0.71 ADORA1 (0.79) PIK3CGPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL27612515 0.71 PIK3CG (0.56) PIK3CGPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL29484712 0.71 MGMT (0.43) ADORA1ADORA2AMEN1KMT2APSMD14

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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed