SCHEMBL6840424

SCHEMBL6840424

C1=C(c2ncc[nH]2)CCOC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.37
PIK3CA P42336 3/20 0.37
NISCH Q9Y2I1 2/20 0.36
MTOR P42345 1/20 0.36
ADK P55263 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPK14 Q16539 7/20 0.34
CSNK1E P49674 3/20 0.33
CSNK1D P48730 2/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CSNK1A1 P48729 1/20 0.32
TYRO3 Q06418 1/20 0.32

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
SCHEMBL27883560 0.77
SCHEMBL6844699 0.72 F2RL1 (0.49) NISCHMTORADKMEN1ALDH1A1
SCHEMBL2073936 0.70 F2RL1 (0.44) NISCHMTORADKMEN1ALDH1A1
SCHEMBL81650 0.66 NISCH (0.59) NISCHMTORADKMEN1ALDH1A1
SCHEMBL21672054 0.66 DYRK1A (0.47) PIK3CDPIK3CAMTORDYRK1APIK3CB
SCHEMBL30877484 0.66 PIK3CD (0.35) PIK3CDPIK3CAMAPK14CSNK1ECSNK1D
SCHEMBL1205638 0.65
SCHEMBL14334928 0.64 HRH3 (0.53) DYRK1AADRA2A
SCHEMBL1303873 0.64 PIK3CD (0.37) PIK3CDPIK3CADYRK1AMAPK14CSNK1E
SCHEMBL1461133 0.64 NISCH (0.39) NISCHMTORADKMEN1ALDH1A1

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-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed