SCHEMBL13423948

SCHEMBL13423948

CC(C)n1nc(-c2ccc(N)nc2)c2c1-c1cc(C(=O)O)nn1CC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.33
MCL1 Q07820 4/20 0.33
BCL2 P10415 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SRC P12931 9/20 0.33
ABL1 P00519 8/20 0.33
HCK P08631 8/20 0.33
PIK3CD O00329 7/20 0.33
EGFR P00533 7/20 0.33
KDR P35968 7/20 0.33
PIK3CA P42336 7/20 0.33
PIK3CB P42338 7/20 0.33
MTOR P42345 7/20 0.33
EPHB4 P54760 7/20 0.33
PRKDC P78527 7/20 0.33
PI4KB Q9UBF8 5/20 0.33
PIK3CG P48736 5/20 0.33
ATM Q13315 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
SCHEMBL13424098 0.92 SRC (0.36) SRCABL1HCKPIK3CDEGFR
SCHEMBL13423953 0.89 POLB (0.34) MDM2MCL1BCL2SRCABL1
SCHEMBL15477984 0.84 HCAR3 (0.37) MDM2MCL1BCL2PIK3CAMTOR
SCHEMBL13423950 0.81 ALDH1A1 (0.46) MDM2MCL1BCL2KDM4EALDH1A1
SCHEMBL13423925 0.79 SRC (0.34) SRCABL1HCKPIK3CDEGFR
SCHEMBL13423875 0.79 MALT1 (0.38) KDRPIK3CABRD4CREBBP
SCHEMBL13423955 0.74 RORC (0.36) PIK3CGBRD4CREBBP
SCHEMBL13424097 0.73 ALDH1A1 (0.37) KDM4EALDH1A1PIK3CAMTORPI4KB
SCHEMBL13423945 0.73 RORC (0.38) BRD4CREBBP
SCHEMBL13423956 0.70 ALDH1A1 (0.46) ALDH1A1

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-2010043676-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (PI3-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 WO disclosed