SCHEMBL935484

SCHEMBL935484

Cc1cccc2cc(CCNc3nc(F)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 9/20 0.41
PIK3CA P42336 8/20 0.41
PIK3CD O00329 16/20 0.38
PIK3CG P48736 12/20 0.36
PIK3CB P42338 8/20 0.36
ABCB11 O95342 2/20 0.36
PDE3A Q14432 2/20 0.36
TBXA2R P21731 1/20 0.36
HTR2A P28223 1/20 0.36
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
PDE4D Q08499 1/20 0.34
TP53 P04637 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
SCHEMBL936006 0.90 PIK3CD (0.39) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL935114 0.90 PIK3CD (0.39) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL935884 0.89 PIK3R1 (0.44) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL5607167 0.84 PIK3CD (0.45) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4414318 0.80 PIK3R1 (0.58) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4414315 0.80 PIK3R1 (0.58) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL31594500 0.80 PIK3R1 (0.58) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL31594575 0.80 PIK3R1 (0.58) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL935803 0.80 PIK3R1 (0.46) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL9924638 0.79 PIK3R1 (0.45) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB

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-2456444-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Intellikine, Inc. (US) 2012-05-30 EP disclosed
WO-2011008302-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2011-01-20 WO disclosed