SCHEMBL935884

SCHEMBL935884

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 10/20 0.44
PIK3CA P42336 9/20 0.44
PIK3CD O00329 17/20 0.44
PIK3CG P48736 11/20 0.42
PIK3CB P42338 10/20 0.42
ABCB11 O95342 2/20 0.42
PDE3A Q14432 2/20 0.42
TBXA2R P21731 1/20 0.42
HTR2A P28223 1/20 0.42
PIK3R2 O00459 1/20 0.36
HTR1A P08908 1/20 0.36
PTGS1 P23219 1/20 0.36
OPRM1 P35372 1/20 0.36
PRKDC P78527 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDE4D Q08499 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36

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
SCHEMBL935803 0.91 PIK3R1 (0.46) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL9924638 0.91 PIK3R1 (0.45) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2599465 0.90 PIK3CD (0.41) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL935114 0.90 PIK3CD (0.39) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL935671 0.89 PIK3CD (0.51) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL935484 0.89 PIK3R1 (0.41) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL936006 0.88 PIK3CD (0.39) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2599467 0.87 PIK3CD (0.39) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16671078 0.84 PIK3CD (0.43) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL5606808 0.84 PIK3CD (0.51) 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