SCHEMBL13826002

SCHEMBL13826002

Nc1ncnc2[nH]nc(-c3ccc(Cl)s3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.38
SRC P12931 2/20 0.38
EGFR P00533 1/20 0.35
PRKCA P17252 1/20 0.35
PIK3CD O00329 8/20 0.33
PIK3CA P42336 8/20 0.33
PIK3CB P42338 8/20 0.33
PIK3CG P48736 8/20 0.33
PRKDC P78527 8/20 0.33
LRRK2 Q5S007 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
DYRK3 O43781 2/20 0.33
CSNK1D P48730 2/20 0.33
AURKB Q96GD4 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
SGK1 O00141 1/20 0.33
MEN1 O00255 1/20 0.33
EIF4E P06730 1/20 0.33
EIF2AK2 P19525 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL17970714 0.80 CYP2A6 (0.37) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL8975546 0.75 ADK (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3715031 0.74 SRC (0.57) ABL1SRCEGFRPRKCAPIK3CD
SCHEMBL19257169 0.73 PIK3CD (0.40) ABL1SRCPIK3CDPIK3CAPIK3CB
SCHEMBL13717957 0.72 PIK3CD (0.58) ABL1SRCEGFRPIK3CDPIK3CA
SCHEMBL19414426 0.72 PIK3CA (0.44) PIK3CALRRK2MTORKDR
SCHEMBL129539 0.70 PIK3CD (0.59) ABL1SRCEGFRPIK3CDPIK3CA
SCHEMBL408618 0.70 PIK3CD (0.55) ABL1SRCEGFRPIK3CDPIK3CA
SCHEMBL30387175 0.70 PIK3CD (0.55) ABL1SRCEGFRPIK3CDPIK3CA
SCHEMBL887854 0.70 ABL1 (0.44) ABL1SRCEGFRPRKCAPIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012151525-A9 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 WO disclosed