SCHEMBL2599467

SCHEMBL2599467

C=Cc1cccc2cc(CCNc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.39
PIK3CG P48736 14/20 0.39
PIK3CB P42338 12/20 0.39
PIK3CA P42336 10/20 0.39
PIK3R1 P27986 9/20 0.39
ABCB11 O95342 2/20 0.39
PDE3A Q14432 2/20 0.39
TBXA2R P21731 1/20 0.39
HTR2A P28223 1/20 0.39
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3C3 Q8NEB9 2/20 0.34
PIK3R2 O00459 1/20 0.34
HTR1A P08908 1/20 0.34
PTGS1 P23219 1/20 0.34
OPRM1 P35372 1/20 0.34
PRKDC P78527 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL935671 0.87 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL935884 0.87 PIK3R1 (0.44) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2599465 0.86 PIK3CD (0.41) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL16671078 0.82 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL154563 0.80 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL154564 0.80 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL179598 0.80 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL935803 0.78 PIK3R1 (0.46) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL9924638 0.78 PIK3R1 (0.45) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL935114 0.77 PIK3CD (0.39) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1

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
EP-2571357-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION Intellikine, Inc. (US) 2013-03-27 EP disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 WO disclosed