SCHEMBL935803

SCHEMBL935803

Cc1ccccc1-n1c(CCNc2ncnc3[nH]cnc23)cc2cccc(C)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 6/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CD O00329 13/20 0.42
PIK3CG P48736 7/20 0.39
PIK3CB P42338 3/20 0.38
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB11 O95342 1/20 0.35
TBXA2R P21731 1/20 0.35
HTR2A P28223 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL935884 0.91 PIK3R1 (0.44) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL5608425 0.84 PIK3CD (0.58) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL935655 0.83 PIK3CD (0.43) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL9924638 0.82 PIK3R1 (0.45) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL9884274 0.81 PIK3R1 (0.42) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2599465 0.81 PIK3CD (0.41) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL935114 0.81 PIK3CD (0.39) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL5606851 0.81 PIK3CD (0.56) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL936097 0.80 PIK3R1 (0.42) PIK3R1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL935671 0.80 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 6 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
EP-2240452-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Intellikine, Inc. (US) 2010-10-20 EP disclosed
EP-2240451-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Intellikine, Inc. (US) 2010-10-20 EP disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO disclosed
WO-2009088990-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO disclosed